RMG Output

Species (152)


IndexThermo
H298 (kcal/mol), S298 (cal/mol*K), Cp (cal/mol*K)		StructureLabelSMILESMW
(g/mol)
6.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
29.82 77.30 28.32 38.11 50.50 55.74
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
 Si3H8(6) Si3H8(6) [SiH3][SiH2][SiH3] 92.32
8.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
107.73 38.10 4.97 4.97 4.97 4.97
Thermo library: SiliconHydrideLibrary
 Si(8) Si(8) [SiH2] 28.09
10.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
90.02 47.33 7.17 7.30 8.16 8.61
Thermo library: SiliconHydrideLibrary
 SiH(10) SiH(10) [SiH3] 29.09
20.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
95.85 95.00 34.55 44.57 56.83 61.78
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R)
 H8Si4(20) H8Si4(20) [SiH3][SiH2][SiH2][SiH3] 120.41
22.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
39.36 93.04 37.33 50.01 65.59 72.15
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R)
 H10Si4(22) H10Si4(22) [SiH3][SiH2][SiH2][SiH3] 122.42
28.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
140.73 112.32 32.07 40.32 50.63 54.70
Thermo group additivity estimation: group(Sis-H3si) + other(R) + group(Sid-HSis)
+ other(R) + group(Sid-H2) + other(R) + group(si) + other(R)
 H6Si4(28) H6Si4(28) [SiH2]=[SiH][SiH2][SiH3] 118.39
29.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
84.85 93.06 34.43 44.50 56.70 61.73
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R)
 H8Si4(29) H8Si4(29) [SiH2]=[SiH][SiH2][SiH3] 120.41
33.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
147.35 70.51 11.64 12.10 13.08 13.48
Thermo library: SiliconHydrideLibrary + radical(Si=SiJ2_triplet) +
radical(SidsJ_Si)
 HSi2(33) HSi2(33) [Si]=[SiH] 57.18
38.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
164.04 78.39 20.64 24.04 28.21 29.88
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-
HSis) + other(R) + group(Sid-H2) + other(R) + radical(SisJ_Si_H2) +
radical(Si=SiJ2_triplet)
 H3Si3(38) H3Si3(38) [Si]=[SiH][SiH2] 87.28
39.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
157.38 81.04 20.55 23.65 28.29 29.95
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-
HSis) + other(R) + group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet) +
radical(SidsJ_Si)
 H3Si3(39) H3Si3(39) [Si]=[Si][SiH3] 87.28
40.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
156.07 58.93 20.46 22.92 25.79 26.68
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sid-H2) +
other(R) + group(si) + other(R) + radical(Si=SiJ2_triplet)
 H2Si3(40) H2Si3(40) [Si]=[SiH][SiH3] 86.27
42.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
146.50 108.01 39.62 50.11 62.79 67.73
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet)
 H8Si5(42) H8Si5(42) [Si]=[SiH][SiH2][SiH2][SiH3] 148.49
43.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
185.63 68.11 35.27 41.73 48.40 50.70
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sid-HSis)
+ other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet)
 H6Si5(43) H6Si5(43) [Si]=[SiH][SiH2][SiH]=[SiH2] 146.48
45.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
237.74 65.94 31.45 35.49 39.34 40.35
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sid-HSis)
+ other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet) + radical(Si=SiJ2_triplet)
 H4Si5(45) H4Si5(45) [Si]=[SiH][SiH2][SiH]=[Si] 144.46
46.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
111.93 79.17 24.46 30.28 37.26 40.24
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-H2)
+ other(R) + group(Sid-HSis) + other(R) + radical(SisJ_Si_H2)
 H5Si3(46) H5Si3(46) [SiH2][SiH]=[SiH2] 89.30
47.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
105.27 81.83 24.37 29.89 37.35 40.30
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-
HSis) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H5Si3(47) H5Si3(47) [SiH2]=[Si][SiH3] 89.30
48.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
103.96 59.71 24.28 29.15 34.85 37.03
Thermo group additivity estimation: group(Sid-H2) + other(R) + group(Sis-Sis4) +
other(R) + group(si) + other(R)
 H4Si3(48) H4Si3(48) [SiH2]=[SiH][SiH3] 88.29
49.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
94.39 108.80 43.44 56.36 71.83 78.10
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R)
 H10Si5(49) H10Si5(49) [SiH2]=[SiH][SiH2][SiH2][SiH3] 150.51
50.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
133.52 67.51 39.09 47.97 57.46 61.06
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sid-HSis)
+ other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
group(Sid-H2) + other(R)
 H8Si5(50) H8Si5(50) [SiH2]=[SiH][SiH2][SiH]=[SiH2] 148.49
52.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
134.04 59.67 12.33 13.22 13.80 14.33
Thermo library: SiliconHydrideLibrary + radical(SiJ_LP_H)
 HSi2(52) HSi2(52) [SiH2][SiH3] 57.18
53.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
152.34 94.20 31.76 39.18 48.04 51.44
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H2siSis) + other(R) + group(si) + other(R) + group(si) + other(R)
 H6Si4(53) H6Si4(53) [SiH3][SiH2][SiH2][SiH3] 118.39
54.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
202.99 108.60 36.82 44.73 53.98 57.40
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
group(si) + other(R) + radical(Si=SiJ2_triplet)
 H6Si5(54) H6Si5(54) [Si]=[SiH][SiH2][SiH2][SiH3] 146.48
55.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
150.88 109.38 40.64 50.98 63.04 67.75
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
group(si) + other(R)
 H8Si5(55) H8Si5(55) [SiH2]=[SiH][SiH2][SiH2][SiH3] 148.49
57.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
109.30 79.15 24.47 30.15 37.30 40.30
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_SiLP)
 H5Si3(57) H5Si3(57) [SiH3][SiH][SiH3] 89.30
60.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
91.63 92.21 34.31 44.30 56.68 61.69
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-HsiSis2) + other(R) + group(si) + other(R)
 H8Si4(60) H8Si4(60) [SiH3][SiH]([SiH3])[SiH3] 120.41
61.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
152.39 129.57 33.53 42.28 53.74 58.18
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
RsiSis) + other(R) + group(si) + other(R) + group(si) + other(R)
 H6Si4(61) H6Si4(61) [SiH3][SiH]([SiH3])[SiH3] 118.39
62.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
105.39 110.74 43.56 56.43 71.96 78.16
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2siSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(si) + other(R)
 H10Si5(62) H10Si5(62) [SiH3][SiH2][SiH2][SiH2][SiH3] 150.51
63.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
101.17 107.95 43.31 56.17 71.81 78.06
Thermo group additivity estimation: group(Sis-HsiSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(si) + other(R)
 H10Si5(63) H10Si5(63) [SiH3][SiH2][SiH]([SiH3])[SiH3] 150.51
64.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
48.90 108.78 46.35 61.87 80.72 88.53
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R)
 H12Si5(64) H12Si5(64) [SiH3][SiH2][SiH2][SiH2][SiH3] 152.52
65.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
150.87 124.94 41.09 52.17 65.72 71.03
Thermo group additivity estimation: group(Sis-RsiSis) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
group(Sid-H2) + other(R)
 H8Si5(65) H8Si5(65) [SiH2]=[SiH][SiH]([SiH3])[SiH3] 148.49
68.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
202.98 124.15 37.27 45.92 56.66 60.68
Thermo group additivity estimation: group(Sis-RsiSis) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet)
 H6Si5(68) H6Si5(68) [Si]=[SiH][SiH]([SiH3])[SiH3] 146.48
69.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
156.04 123.75 48.62 61.98 77.92 84.10
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(Si=SiJ2_triplet)
 H10Si6(69) H10Si6(69) [Si]=[SiH][SiH2][SiH2][SiH2][SiH3] 178.59
70.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
103.93 124.54 52.44 68.23 86.96 94.47
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R)
 H12Si6(70) H12Si6(70) [SiH2]=[SiH][SiH2][SiH2][SiH2][SiH3] 180.61
71.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
161.88 109.94 40.76 51.05 63.17 67.81
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H2siSis) + other(R) + group(si) + other(R) +
group(si) + other(R)
 H8Si5(71) H8Si5(71) [SiH3][SiH2][SiH2][SiH2][SiH3] 148.49
72.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
157.66 108.54 40.51 50.78 63.02 67.72
Thermo group additivity estimation: group(Sis-HsiSis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
group(si) + other(R)
 H8Si5(72) H8Si5(72) [SiH3][SiH2][SiH]([SiH3])[SiH3] 148.49
73.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
114.93 126.48 52.56 68.30 87.09 94.53
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2siSis) +
other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R)
 H12Si6(73) H12Si6(73) [SiH3][SiH2][SiH2][SiH2][SiH2][SiH3] 180.61
74.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
110.71 123.69 52.31 68.03 86.94 94.44
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
HsiSis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(si) + other(R)
 H12Si6(74) H12Si6(74) [SiH3][SiH2][SiH2][SiH]([SiH3])[SiH3] 180.61
92.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
216.31 72.38 34.23 39.04 44.20 45.69
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sid-HSis)
+ other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
group(Sid-H2) + other(R) + radical(SidsJ_Si) + radical(Si=SiJ2_triplet)
 H5Si5(92) H5Si5(92) [Si]=[SiH][SiH2][SiH]=[SiH] 145.47
93.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
164.20 73.16 38.05 45.28 53.26 56.04
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sid-HSis)
+ other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H7Si5(93) H7Si5(93) [SiH]=[SiH][SiH2][SiH]=[SiH2] 147.48
94.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
181.56 113.65 39.60 48.28 58.84 62.73
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
group(si) + other(R) + radical(SidsJ_Si)
 H7Si5(94) H7Si5(94) [SiH]=[SiH][SiH2][SiH2][SiH3] 147.48
95.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
181.55 129.21 40.06 49.47 61.52 66.02
Thermo group additivity estimation: group(Sis-RsiSis) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H7Si5(95) H7Si5(95) [SiH]=[SiH][SiH]([SiH3])[SiH3] 147.48
98.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
125.92 74.18 14.42 15.65 17.94 18.82
Thermo library: SiliconHydrideLibrary + radical(SidsJ_Si) + radical(SidsJ_Si)
 H2Si2(98) H2Si2(98) [SiH]=[SiH] 58.19
99.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
135.95 86.10 23.33 27.19 33.15 35.29
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-
HSis) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si) +
radical(SidsJ_Si)
 H4Si3(99) H4Si3(99) [SiH]=[Si][SiH3] 88.29
100.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
142.61 83.45 23.42 27.58 33.07 35.22
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-
HSis) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si) +
radical(SisJ_Si_H2)
 H4Si3(100) H4Si3(100) [SiH]=[SiH][SiH2] 88.29
101.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
134.64 63.98 23.24 26.46 30.65 32.02
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sid-H2) +
other(R) + group(si) + other(R) + radical(SidsJ_Si)
 H3Si3(101) H3Si3(101) [SiH]=[SiH][SiH3] 87.28
102.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
82.22 90.00 34.09 44.21 56.55 61.68
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sis-
H3Sid) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R)
 H8Si4(102) H8Si4(102) [SiH3][SiH]=[SiH][SiH3] 120.41
103.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
125.07 113.07 42.40 53.65 67.64 73.07
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H9Si5(103) H9Si5(103) [SiH]=[SiH][SiH2][SiH2][SiH3] 149.50
105.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
134.61 128.81 51.41 65.52 82.78 89.44
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SidsJ_Si)
 S(105) S(105) [SiH]=[SiH][SiH2][SiH2][SiH2][SiH3] 179.60
108.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
194.88 76.06 37.02 42.59 49.05 51.03
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sid-HSis)
+ other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
group(Sid-H2) + other(R) + radical(SidsJ_Si) + radical(SidsJ_Si)
 H6Si5(108) H6Si5(108) [SiH]=[SiH][SiH2][SiH]=[SiH] 146.48
109.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
91.02 45.06 49.84 62.36 75.96 81.08
Thermo group additivity estimation: group(Sid-HSis) + other(R) + group(Sid-HSis)
+ other(R) + group(Sis-Sis4) + other(R) + group(Sis-Sis4) + other(R) + group
(Sis-H3Sid) + other(R) + group(Sis-H3Sid) + other(R)
 S(109) S(109) [SiH3][SiH]=[SiH][SiH]=[SiH][SiH3] 178.59
113.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
171.60 93.81 29.28 35.55 43.29 46.22
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si2_H) + radical(Si=SiJ2_triplet)
 H5Si4(113) H5Si4(113) [Si]=[SiH][SiH][SiH3] 117.38
114.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
174.30 93.89 29.67 35.93 43.38 46.27
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2) + radical(Si=SiJ2_triplet)
 H5Si4(114) H5Si4(114) [Si]=[SiH][SiH2][SiH2] 117.38
115.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
167.64 96.54 29.58 35.54 43.46 46.34
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SidsJ_Si) + radical(Si=SiJ2_triplet)
 H5Si4(115) H5Si4(115) [Si]=[Si][SiH2][SiH3] 117.38
116.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
166.16 73.07 28.88 34.24 40.64 42.89
Thermo group additivity estimation: group(Sis-H3si) + other(R) + group(Sis-Sis4)
+ other(R) + group(si) + other(R) + group(Sid-H2) + other(R) +
radical(Si=SiJ2_triplet)
 H4Si4(116) H4Si4(116) [Si]=[SiH][SiH2][SiH3] 116.37
117.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
145.94 105.60 39.76 50.09 62.82 67.71
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet)
 H8Si5(117) H8Si5(117) [Si]=[SiH][SiH]([SiH3])[SiH3] 148.49
118.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
155.48 121.34 48.76 61.96 77.95 84.08
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet)
 S(118) S(118) [Si]=[SiH][SiH]([SiH3])[SiH2][SiH3] 178.59
119.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
195.77 99.57 44.88 54.87 66.22 70.35
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet)
 H8Si6(119) H8Si6(119) [Si]=[SiH][SiH]([SiH3])[SiH]=[SiH2] 176.58
120.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
201.53 122.40 45.70 56.53 68.99 73.71
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet)
 H8Si6(120) H8Si6(120) [Si]=[SiH][SiH2][SiH2][SiH]=[SiH2] 176.58
123.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
247.88 98.79 41.06 48.63 57.16 59.99
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet) +
radical(Si=SiJ2_triplet)
 H6Si6(123) H6Si6(123) [Si]=[SiH][SiH]([SiH3])[SiH]=[Si] 174.56
124.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
253.64 120.23 41.88 50.29 59.93 63.35
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet) +
radical(Si=SiJ2_triplet)
 H6Si6(124) H6Si6(124) [Si]=[SiH][SiH2][SiH2][SiH]=[Si] 174.56
125.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
211.97 121.92 45.96 56.59 69.15 73.75
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(si) + other(R) + radical(Si=SiJ2_triplet)
 H8Si6(125) H8Si6(125) [Si]=[SiH][SiH]([SiH3])[SiH2][SiH3] 176.58
83.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
212.53 124.34 45.82 56.60 69.12 73.77
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H2siSis) + other(R) + group(Sid-HSis) +
other(R) + group(si) + other(R) + group(Sid-H2) + other(R) +
radical(Si=SiJ2_triplet)
 H8Si6(83) H8Si6(83) [Si]=[SiH][SiH2][SiH2][SiH2][SiH3] 176.58
126.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
226.45 103.84 43.84 52.18 62.01 65.33
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet) +
radical(SidsJ_Si)
 H7Si6(126) H7Si6(126) [Si]=[SiH][SiH]([SiH3])[SiH]=[SiH] 175.57
127.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
232.21 126.67 44.67 53.84 64.78 68.69
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet) +
radical(SidsJ_Si)
 H7Si6(127) H7Si6(127) [Si]=[SiH][SiH2][SiH2][SiH]=[SiH] 175.57
138.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
165.45 48.10 8.76 9.86 10.18 9.80
Thermo library: SiliconHydrideLibrary + radical(CJ3)
 HSi(138) HSi(138) [SiH] 29.09
139.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
150.18 98.87 32.06 39.10 48.14 51.56
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si2_H) + radical(SidsJ_Si)
 H6Si4(139) H6Si4(139) [SiH]=[SiH][SiH][SiH3] 118.39
140.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
152.87 98.95 32.45 39.48 48.24 51.61
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2) + radical(SidsJ_Si)
 H6Si4(140) H6Si4(140) [SiH]=[SiH][SiH2][SiH2] 118.39
141.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
146.21 101.60 32.36 39.09 48.32 51.68
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SidsJ_Si) + radical(SidsJ_Si)
 H6Si4(141) H6Si4(141) [SiH]=[Si][SiH2][SiH3] 118.39
142.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
144.73 78.13 31.66 37.79 45.50 48.23
Thermo group additivity estimation: group(Sis-H3si) + other(R) + group(Sis-Sis4)
+ other(R) + group(si) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H5Si4(142) H5Si4(142) [SiH]=[SiH][SiH2][SiH3] 117.38
143.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
124.51 110.66 42.54 53.64 67.68 73.05
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H9Si5(143) H9Si5(143) [SiH]=[SiH][SiH]([SiH3])[SiH3] 149.50
144.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
92.48 106.87 43.11 56.07 71.73 78.05
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sis-H3Sid) + other(R)
 S(144) S(144) [SiH3][SiH]=[SiH][SiH2][SiH3] 150.51
145.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
134.05 126.40 51.55 65.51 82.81 89.42
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si)
 S(145) S(145) [SiH]=[SiH][SiH]([SiH3])[SiH2][SiH3] 179.60
146.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
174.34 104.63 47.66 58.42 71.08 75.69
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H9Si6(146) H9Si6(146) [SiH]=[SiH][SiH]([SiH3])[SiH]=[SiH2] 177.58
147.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
180.10 127.45 48.49 60.08 73.84 79.05
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H9Si6(147) H9Si6(147) [SiH]=[SiH][SiH2][SiH2][SiH]=[SiH2] 177.58
150.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
190.54 126.98 48.75 60.14 74.00 79.09
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(si) + other(R) + radical(SidsJ_Si)
 H9Si6(150) H9Si6(150) [SiH]=[SiH][SiH]([SiH3])[SiH2][SiH3] 177.58
106.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
191.10 129.39 48.61 60.15 73.97 79.11
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H2siSis) + other(R) + group(Sid-HSis) +
other(R) + group(si) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H9Si6(106) H9Si6(106) [SiH]=[SiH][SiH2][SiH2][SiH2][SiH3] 177.58
151.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
126.25 66.56 49.86 61.73 74.75 79.47
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-Sis4) + other(R) +
group(Sis-Sis4) + other(R) + group(si) + other(R)
 H8Si6(151) H8Si6(151) [SiH2]=[SiH][SiH]=[SiH][SiH2][SiH3] 176.58
152.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
205.02 108.90 46.63 55.72 66.87 70.67
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si) +
radical(SidsJ_Si)
 H8Si6(152) H8Si6(152) [SiH]=[SiH][SiH]([SiH3])[SiH]=[SiH] 176.58
153.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
210.78 130.35 47.45 57.39 69.64 74.03
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si) +
radical(SidsJ_Si)
 H8Si6(153) H8Si6(153) [SiH]=[SiH][SiH2][SiH2][SiH]=[SiH] 176.58
155.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
90.66 68.66 17.14 21.39 26.54 28.98
Thermo library: SiliconHydrideLibrary + radical(SisJ_Si_H2) +
radical(SisJ_Si_H2)
 H4Si2(155) H4Si2(155) [SiH2][SiH2] 60.20
157.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
87.31 69.39 16.30 20.66 26.38 28.85
Thermo library: SiliconHydrideLibrary + radical(SiSiH_triplet)
 H4Si2(157) H4Si2(157) [SiH][SiH3] 60.20
158.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
76.70 96.03 36.40 47.66 61.34 67.05
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2)
 H9Si4(158) H9Si4(158) [SiH2][SiH2][SiH2][SiH3] 121.41
159.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
122.19 94.67 33.49 42.18 52.43 56.63
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2)
 H7Si4(159) H7Si4(159) [SiH2][SiH2][SiH]=[SiH2] 119.40
162.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
86.24 111.77 45.41 59.52 76.48 83.42
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2)
 S(162) S(162) [SiH2][SiH2][SiH2][SiH2][SiH3] 151.51
32.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
117.45 111.50 34.11 43.54 55.36 60.03
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(si) + other(R)
 H6Si4(32) H6Si4(32) [SiH2]=[SiH][SiH2][SiH3] 118.39
164.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
193.38 125.37 47.68 59.67 73.64 79.02
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2) + radical(Si=SiJ2_triplet)
 H9Si6(164) H9Si6(164) [Si]=[SiH][SiH2][SiH2][SiH2][SiH2] 177.58
165.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
102.74 121.00 52.14 67.97 86.90 94.44
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R)
 S(165) S(165) [SiH3][SiH2][SiH]=[SiH][SiH2][SiH3] 180.61
166.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
146.64 80.77 23.52 27.85 33.02 35.22
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_SiLP) +
radical(SisJ_Si_H2)
 H4Si3(166) H4Si3(166) [SiH2][SiH][SiH3] 88.29
167.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
147.07 75.04 20.33 24.92 30.63 33.05
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2) +
radical(SiJ_LP_Si)
 H4Si3(167) H4Si3(167) [SiH2][SiH2][SiH2] 88.29
168.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
165.24 115.46 23.42 27.90 34.24 36.75
Thermo group additivity estimation: group(si) + other(R) + group(Sis-H3si) +
other(R) + group(si) + other(R) + radical(SisJ_SiLP)
 H3Si3(168) H3Si3(168) [SiH2][SiH2][SiH3] 87.28
169.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
128.97 93.83 33.37 41.98 52.41 56.60
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
HsiSis2) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
radical(SisJ_Si_H2)
 H7Si4(169) H7Si4(169) [SiH2][SiH]([SiH3])[SiH3] 119.40
170.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
189.73 131.18 32.58 39.98 49.46 53.10
Thermo group additivity estimation: group(Sis-RsiSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + group(si) + other(R) +
radical(SisJ_Si_H2)
 H5Si4(170) H5Si4(170) [SiH2][SiH]([SiH3])[SiH3] 117.38
171.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
157.64 81.84 22.81 27.37 32.94 35.13
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + radical(SiSiH_triplet)
 H4Si3(171) H4Si3(171) [SiH][SiH2][SiH3] 88.29
172.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
138.51 109.57 42.37 53.85 67.54 72.97
Thermo group additivity estimation: group(Sis-HsiSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(si) + other(R) + radical(SisJ_Si_H2)
 H9Si5(172) H9Si5(172) [SiH2][SiH]([SiH3])[SiH2][SiH3] 149.50
163.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
142.73 112.35 42.61 54.12 67.69 73.06
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2siSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(si) + other(R) + radical(SisJ_Si_H2)
 H9Si5(163) H9Si5(163) [SiH2][SiH2][SiH2][SiH2][SiH3] 149.50
173.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
188.21 126.55 40.15 49.86 61.44 65.95
Thermo group additivity estimation: group(Sis-RsiSis) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
group(Sid-H2) + other(R) + radical(SisJ_Si_H2)
 H7Si5(173) H7Si5(173) [SiH2][SiH]([SiH3])[SiH]=[SiH2] 147.48
175.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
240.32 125.77 36.33 43.62 52.38 55.60
Thermo group additivity estimation: group(Sis-RsiSis) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
group(Sid-H2) + other(R) + radical(SisJ_Si_H2) + radical(Si=SiJ2_triplet)
 H5Si5(175) H5Si5(175) [Si]=[SiH][SiH]([SiH2])[SiH3] 145.47
176.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
141.27 126.15 51.50 65.92 82.69 89.38
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2)
 S(176) S(176) [SiH2][SiH2][SiH2][SiH2][SiH]=[SiH2] 179.60
177.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
195.00 110.15 39.57 48.48 58.74 62.64
Thermo group additivity estimation: group(Sis-HsiSis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
group(si) + other(R) + radical(SisJ_Si_H2)
 H7Si5(177) H7Si5(177) [SiH2][SiH]([SiH3])[SiH2][SiH3] 147.48
58.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
109.73 73.42 21.26 27.26 34.88 38.16
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
H2siSis) + other(R) + group(si) + other(R) + radical(SiJ_LP_Si)
 H5Si3(58) H5Si3(58) [SiH2][SiH2][SiH3] 89.30
178.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
148.05 125.31 51.37 65.72 82.67 89.35
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
HsiSis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2)
 S(178) S(178) [SiH2][SiH]([SiH3])[SiH2][SiH2][SiH3] 179.60
179.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
152.27 128.09 51.62 65.99 82.82 89.44
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2siSis) +
other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
radical(SisJ_Si_H2)
 S(179) S(179) [SiH2][SiH2][SiH2][SiH2][SiH2][SiH3] 179.60
180.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
148.05 125.31 51.37 65.72 82.67 89.35
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
HsiSis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2)
 S(180) S(180) [SiH2][SiH2][SiH2][SiH]([SiH3])[SiH3] 179.60
66.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
183.48 127.82 40.32 50.03 61.69 66.07
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sid-HSis) + other(R) + group(si) + other(R) +
group(si) + other(R)
 H6Si5(66) H6Si5(66) [SiH2]=[SiH][SiH2][SiH2][SiH3] 146.48
183.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
218.89 130.83 39.11 47.17 57.24 60.93
Thermo group additivity estimation: group(Sis-RsiSis) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
group(Sid-H2) + other(R) + radical(SisJ_Si_H2) + radical(SidsJ_Si)
 H6Si5(183) H6Si5(183) [SiH]=[SiH][SiH]([SiH2])[SiH3] 146.48
184.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
158.51 123.20 49.32 62.55 78.07 84.07
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sis-H3Sid) + other(R) + group(si) + other(R)
 S(184) S(184) [SiH3][SiH]=[SiH][SiH2][SiH2][SiH3] 178.59
185.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
171.95 130.43 50.46 63.22 78.50 84.36
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2) + radical(SidsJ_Si)
 S(185) S(185) [SiH]=[SiH][SiH2][SiH2][SiH2][SiH2] 178.59
186.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
123.58 112.01 44.47 57.19 72.21 78.32
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 S(186) S(186) [SiH2][SiH2][SiH2][SiH2][SiH2] 150.51
87.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
171.42 125.68 49.76 62.92 78.30 84.18
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2siSis) + other(R) + group(Sis-H2siSis) +
other(R) + group(si) + other(R) + group(si) + other(R)
 H10Si6(87) H10Si6(87) [SiH3][SiH2][SiH2][SiH2][SiH2][SiH3] 178.59
187.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
185.39 126.93 50.43 63.41 78.40 84.26
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
HsiSis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2) +
radical(SisJ_Si_H2)
 S(187) S(187) [SiH2][SiH2][SiH2][SiH]([SiH2])[SiH3] 178.59
17.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
95.85 64.19 12.28 15.39 19.82 21.64
Thermo library: SiliconHydrideLibrary + radical(SiJ_LP_Si)
 H3Si2(17) H3Si2(17) [SiH2][SiH3] 59.19
190.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
183.84 109.63 38.67 47.80 58.51 62.65
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet) + radical(SisJ_Si_H2)
 H7Si5(190) H7Si5(190) [Si]=[SiH][SiH2][SiH2][SiH2] 147.48
191.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
131.73 110.41 42.49 54.05 67.56 73.00
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R) + radical(SisJ_Si_H2)
 H9Si5(191) H9Si5(191) [SiH2][SiH2][SiH2][SiH]=[SiH2] 149.50
192.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
138.51 109.57 42.37 53.85 67.54 72.97
Thermo group additivity estimation: group(Sis-HsiSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(si) + other(R) + radical(SisJ_Si_H2)
 H9Si5(192) H9Si5(192) [SiH2][SiH2][SiH]([SiH3])[SiH3] 149.50
195.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
162.41 114.69 41.46 51.35 63.37 67.98
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R) + radical(SidsJ_Si) + radical(SisJ_Si_H2)
 H8Si5(195) H8Si5(195) [SiH]=[SiH][SiH2][SiH2][SiH2] 148.49
196.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
192.82 122.96 47.82 59.66 73.67 79.00
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet)
+ radical(SisJ_Si_H2)
 H9Si6(196) H9Si6(196) [Si]=[SiH][SiH]([SiH3])[SiH2][SiH2] 177.58
199.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
171.39 128.01 50.60 63.21 78.53 84.34
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si) +
radical(SisJ_Si_H2)
 S(199) S(199) [SiH]=[SiH][SiH]([SiH3])[SiH2][SiH2] 178.59
200.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
114.04 96.27 35.46 45.32 57.08 61.94
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 H8Si4(200) H8Si4(200) [SiH2][SiH2][SiH2][SiH2] 120.41
201.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
175.85 111.19 41.42 51.54 63.27 67.89
Thermo group additivity estimation: group(Sis-HsiSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(si) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 H8Si5(201) H8Si5(201) [SiH2][SiH2][SiH]([SiH2])[SiH3] 148.49
219.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
133.12 127.75 53.47 69.06 87.34 94.69
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 S(219) S(219) [SiH2][SiH2][SiH2][SiH2][SiH2][SiH2] 180.61
202.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
104.50 80.53 26.47 33.47 41.95 45.59
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) +
radical(SisJ_Si_H2)
 H6Si3(202) H6Si3(202) [SiH2][SiH2][SiH2] 90.30
223.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
156.18 96.51 32.53 39.71 48.15 51.59
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
radical(SisJ_SiLP) + radical(SisJ_Si_H2)
 H6Si4(223) H6Si4(223) [SiH2][SiH2][SiH][SiH3] 118.39
224.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
167.84 98.15 32.28 39.56 48.19 51.55
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 H6Si4(224) H6Si4(224) [SiH2][SiH][SiH2][SiH3] 118.39
225.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
156.61 90.78 29.33 36.79 45.76 49.43
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
radical(SiJ_LP_Si) + radical(SisJ_Si_H2)
 H6Si4(225) H6Si4(225) [SiH2][SiH2][SiH2][SiH2] 118.39
226.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
189.73 131.18 32.58 39.98 49.46 53.10
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + group(si) + other(R) +
radical(SisJ_Si_H2)
 H5Si4(226) H5Si4(226) [SiH2][SiH2][SiH2][SiH3] 117.38
212.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
141.24 109.91 42.58 53.99 67.64 73.01
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(si) + other(R) + radical(SisJ_Si_H2)
 H9Si5(212) H9Si5(212) [SiH2][SiH]([SiH3])[SiH2][SiH3] 149.50
193.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
199.27 146.92 41.59 51.85 64.59 69.47
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
RsiSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
group(si) + other(R) + radical(SisJ_Si_H2)
 H7Si5(193) H7Si5(193) [SiH2][SiH2][SiH]([SiH3])[SiH3] 147.48
228.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
167.18 97.58 31.81 39.24 48.07 51.50
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R) +
radical(SiSiH_triplet)
 H6Si4(228) H6Si4(228) [SiH][SiH2][SiH2][SiH3] 118.39
229.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
148.05 125.31 51.37 65.72 82.67 89.35
Thermo group additivity estimation: group(Sis-HsiSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2)
 S(229) S(229) [SiH2][SiH2][SiH]([SiH3])[SiH2][SiH3] 179.60
230.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
150.78 125.65 51.59 65.86 82.77 89.38
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2siSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2)
 S(230) S(230) [SiH2][SiH]([SiH2][SiH3])[SiH2][SiH3] 179.60
213.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
95.78 127.51 54.41 71.38 91.61 99.78
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2)
 S(213) S(213) [SiH2][SiH2][SiH2][SiH2][SiH2][SiH3] 181.62
231.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
197.75 142.29 49.15 61.73 76.57 82.32
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
RsiSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R) +
group(si) + other(R) + group(Sid-H2) + other(R) + radical(SisJ_Si_H2)
 H9Si6(231) H9Si6(231) [SiH2][SiH2][SiH]([SiH3])[SiH]=[SiH2] 177.58
232.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
197.20 124.32 48.84 60.53 73.92 79.02
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2)
 H9Si6(232) H9Si6(232) [SiH2][SiH]([SiH]=[SiH2])[SiH2][SiH3] 177.58
197.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
249.86 141.51 45.33 55.49 67.51 71.97
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
RsiSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R) +
group(si) + other(R) + group(Sid-H2) + other(R) + radical(Si=SiJ2_triplet) +
radical(SisJ_Si_H2)
 H7Si6(197) H7Si6(197) [Si]=[SiH][SiH]([SiH3])[SiH2][SiH2] 175.57
235.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
249.31 123.54 45.02 54.29 64.86 68.66
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2) +
radical(Si=SiJ2_triplet)
 H7Si6(235) H7Si6(235) [Si]=[SiH][SiH]([SiH2])[SiH2][SiH3] 175.57
236.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
204.54 125.89 48.57 60.35 73.87 79.01
Thermo group additivity estimation: group(Sis-HsiSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2siSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(si) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2)
 H9Si6(236) H9Si6(236) [SiH2][SiH2][SiH]([SiH3])[SiH2][SiH3] 177.58
237.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
207.27 126.23 48.79 60.49 73.97 79.04
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H2siSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(si) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2)
 H9Si6(237) H9Si6(237) [SiH2][SiH]([SiH2][SiH3])[SiH2][SiH3] 177.58
238.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
193.02 143.56 49.32 61.90 76.82 82.44
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H2siSis) + other(R) + group(Sid-HSis) +
other(R) + group(si) + other(R) + group(si) + other(R)
 H8Si6(238) H8Si6(238) [SiH2]=[SiH][SiH2][SiH2][SiH2][SiH3] 176.58
239.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
228.43 146.57 48.12 59.04 72.37 77.31
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
RsiSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R) +
group(si) + other(R) + group(Sid-H2) + other(R) + radical(SisJ_Si_H2) +
radical(SidsJ_Si)
 H8Si6(239) H8Si6(239) [SiH]=[SiH][SiH]([SiH3])[SiH2][SiH2] 176.58
240.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
227.88 128.60 47.80 57.84 69.72 74.00
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(si) + other(R) + radical(SidsJ_Si) +
radical(SisJ_Si_H2)
 H8Si6(240) H8Si6(240) [SiH]=[SiH][SiH]([SiH2])[SiH2][SiH3] 176.58
241.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
185.39 126.93 50.43 63.41 78.40 84.26
Thermo group additivity estimation: group(Sis-HsiSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2) +
radical(SisJ_Si_H2)
 S(241) S(241) [SiH2][SiH2][SiH]([SiH3])[SiH2][SiH2] 178.59
242.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
188.12 127.27 50.64 63.55 78.49 84.29
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2siSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2) +
radical(SisJ_Si_H2)
 S(242) S(242) [SiH2][SiH2][SiH]([SiH2])[SiH2][SiH3] 178.59
255.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
164.38 49.85 27.55 31.85 36.39 37.81
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-Sis4)
+ other(R) + group(si) + other(R) + group(si) + other(R) + radical(SiJ_LP_Si)
 HSi4(255) HSi4(255) [SiH2][SiH]=[Si]=[SiH2] 113.35
110.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
108.36 37.24 32.15 38.26 44.55 46.76
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sid-H2) +
other(R) + group(Sis-Sis4) + other(R) + group(si) + other(R)
 H4Si4(110) H4Si4(110) [SiH2]=[SiH][SiH]=[SiH2] 116.37
251.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
182.13 85.82 47.50 57.57 68.67 72.46
Thermo group additivity estimation: group(Sis-H3si) + other(R) + group(Sid-HSis)
+ other(R) + group(Sis-Sis4) + other(R) + group(Sis-Sis4) + other(R) + group(si)
+ other(R) + group(si) + other(R)
 H6Si6(251) H6Si6(251) [SiH2]=[SiH][SiH]=[SiH][SiH2][SiH3] 174.56
256.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
163.59 68.17 48.92 59.43 70.47 74.39
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-Sis4) + other(R) +
group(Sis-Sis4) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2)
 H7Si6(256) H7Si6(256) [SiH2][SiH2][SiH]=[SiH][SiH]=[SiH2] 175.57
257.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
139.04 41.51 31.11 35.57 40.34 41.74
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-Sis4)
+ other(R) + group(Sid-H2) + other(R) + group(si) + other(R) + radical(SidsJ_Si)
 H3Si4(257) H3Si4(257) [SiH]=[SiH][SiH]=[SiH2] 115.37
258.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
146.67 55.33 39.79 47.14 55.38 58.06
Thermo group additivity estimation: group(Sid-HSis) + other(R) + group(Sis-
H3Sid) + other(R) + group(Sis-Sis4) + other(R) + group(Sis-Sis4) + other(R) +
group(si) + other(R) + radical(SidsJ_Si)
 H5Si5(258) H5Si5(258) [SiH2]=[SiH][SiH]=[Si][SiH3] 145.47
259.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
136.18 8.94 35.75 41.89 47.43 49.21
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-Sis4)
+ other(R) + group(Sis-Sis4) + other(R) + group(Sid-H2) + other(R) + group(si) +
other(R) + radical(SiJ_LP_Si)
 H5Si5(259) H5Si5(259) [SiH2][SiH]=[SiH][SiH]=[SiH2] 145.47
260.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
139.41 45.22 36.56 44.37 52.78 55.81
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-Sis4) + other(R) + group(Sis-Sis4) + other(R) +
group(si) + other(R) + radical(SiJ_LP_Si)
 H5Si5(260) H5Si5(260) [SiH2][SiH]=[Si]=[SiH][SiH3] 145.47
261.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
146.67 55.33 39.79 47.14 55.38 58.06
Thermo group additivity estimation: group(Sid-HSis) + other(R) + group(Sis-
H3Sid) + other(R) + group(Sis-Sis4) + other(R) + group(Sis-Sis4) + other(R) +
group(si) + other(R) + radical(SidsJ_Si)
 H5Si5(261) H5Si5(261) [SiH2]=[Si][SiH]=[SiH][SiH3] 145.47
262.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
145.36 33.21 39.70 46.41 52.88 54.80
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-Sis4)
+ other(R) + group(Sis-Sis4) + other(R) + group(si) + other(R) + group(si) +
other(R)
 H4Si5(262) H4Si5(262) [SiH2]=[SiH][SiH]=[SiH][SiH3] 144.46

Reactions (782)

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Reaction List:

IndexReactionFamily
4. Si3H8(6) ⇔ SiH2(2) + Si2H6(4) Silicon_Giunta_1990
T/[K] 500100015002000
log10(k/[mole,m,s]) -7.5+4.3+8.2+10.0
Arrhenius(A=(2.6e+19,'1/s'), n=-1, Ea=(55.5,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = 49.03
S298 (cal/mol*K) = 37.68
G298 (kcal/mol) = 37.80
! Library reaction: Silicon_Giunta_1990 ! Flux pairs: Si3H8(6), SiH2(2); Si3H8(6), Si2H6(4); Si3H8(6)=SiH2(2)+Si2H6(4) 2.600e+19 -1.000 55.500
5. Si3H8(6) ⇔ SiH4(1) + SiH3SiH(5) Silicon_Giunta_1990
T/[K] 500100015002000
log10(k/[mole,m,s]) -6.8+3.9+7.5+9.3
Arrhenius(A=(4.8e+14,'1/s'), n=0, Ea=(49.2,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = 48.18
S298 (cal/mol*K) = 41.59
G298 (kcal/mol) = 35.79
! Library reaction: Silicon_Giunta_1990 ! Flux pairs: Si3H8(6), SiH4(1); Si3H8(6), SiH3SiH(5); Si3H8(6)=SiH4(1)+SiH3SiH(5) 4.800e+14 0.000 49.200
8. SiH3SiH(5) → SiH4(1) + Si(8) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) -6.5+1.5+3.9+5.0
log10(k(10 bar)/[mole,m,s]) -5.6+2.5+4.9+6.0
Troe(arrheniusHigh=Arrhenius(A=(2.04e+17,'1/s'), n=-1.21, Ea=(40834,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.14e+23,'cm^3/mol/s'), n=-2.63, Ea=(41883,'cal/mol'), T0=(1,'K')), alpha=-1.1448, T3=(624.93,'K'), T1=(692.71,'K'), T2=(421.33,'K'), efficiencies={})
H298 (kcal/mol) = 40.87
S298 (cal/mol*K) = 16.94
G298 (kcal/mol) = 35.82
! Library reaction: DolletSi2H4 ! Flux pairs: SiH3SiH(5), SiH4(1); SiH3SiH(5), Si(8); SiH3SiH(5)(+M)=>SiH4(1)+Si(8)(+M) 2.040e+17 -1.210 40.834 LOW/ 3.140e+23 -2.630 41.883 / TROE/ -1.145e+00 625 693 421 / DUPLICATE
9. SiH3SiH(5) → SiH3(9) + SiH(10) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) -16.5-3.4+0.8+2.7
log10(k(10 bar)/[mole,m,s]) -15.5-2.4+1.8+3.7
Troe(arrheniusHigh=Arrhenius(A=(5.85e+19,'1/s'), n=-1.79, Ea=(64940,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.46e+23,'cm^3/mol/s'), n=-2.57, Ea=(65262,'cal/mol'), T0=(1,'K')), alpha=2.2323, T3=(3283.8,'K'), T1=(5564.6,'K'), T2=(8035.7,'K'), efficiencies={})
H298 (kcal/mol) = 63.49
S298 (cal/mol*K) = 29.13
G298 (kcal/mol) = 54.81
! Library reaction: DolletSi2H4 ! Flux pairs: SiH3SiH(5), SiH3(9); SiH3SiH(5), SiH(10); SiH3SiH(5)(+M)=>SiH3(9)+SiH(10)(+M) 5.850e+19 -1.790 64.940 LOW/ 3.460e+23 -2.570 65.262 / TROE/ 2.232e+00 3.28e+03 5.56e+03 8.04e+03 /
13. SiH4(1) + Si(8) → SiH3SiH(5) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) +5.7+5.1+4.8+4.5
log10(k(10 bar)/[mole,m,s]) +6.6+6.1+5.8+5.5
Troe(arrheniusHigh=Arrhenius(A=(2.37e+14,'cm^3/mol/s'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(5.94e+19,'cm^6/mol^2/s'), n=-1.19, Ea=(629.9,'cal/mol'), T0=(1,'K')), alpha=2.6908, T3=(321.59,'K'), T1=(373.15,'K'), T2=(347.63,'K'), efficiencies={})
H298 (kcal/mol) = -40.87
S298 (cal/mol*K) = -16.94
G298 (kcal/mol) = -35.82
! Library reaction: DolletSi2H4 ! Flux pairs: SiH4(1), SiH3SiH(5); Si(8), SiH3SiH(5); SiH4(1)+Si(8)(+M)=>SiH3SiH(5)(+M) 2.370e+14 0.000 0.000 LOW/ 5.940e+19 -1.190 0.630 / TROE/ 2.691e+00 322 373 348 / DUPLICATE
14. SiH4(1) + Si(8) → H4Si2(7) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) +5.5+5.2+4.8+4.6
log10(k(10 bar)/[mole,m,s]) +6.1+5.9+5.7+5.4
Troe(arrheniusHigh=Arrhenius(A=(4.56e+09,'cm^3/mol/s'), n=1.07, Ea=(-440.1,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.8e+20,'cm^6/mol^2/s'), n=-1.36, Ea=(1036.5,'cal/mol'), T0=(1,'K')), alpha=-0.2139, T3=(257.57,'K'), T1=(-2062.9,'K'), T2=(354.21,'K'), efficiencies={})
H298 (kcal/mol) = -48.75
S298 (cal/mol*K) = -22.70
G298 (kcal/mol) = -41.98
! Library reaction: DolletSi2H4 ! Flux pairs: SiH4(1), H4Si2(7); Si(8), H4Si2(7); SiH4(1)+Si(8)(+M)=>H4Si2(7)(+M) 4.560e+09 1.070 -0.440 LOW/ 3.800e+20 -1.360 1.036 / TROE/ -2.139e-01 258 -2.06e+03 354 /
15. SiH4(1) + Si(8) → H2(3) + SiH2Si(11) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) +0.3+1.2+1.7+2.1
log10(k(10 bar)/[mole,m,s]) +1.3+2.2+2.7+3.1
Troe(arrheniusHigh=Arrhenius(A=(3.85e-05,'cm^3/mol/s'), n=5.01, Ea=(-54,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.34,'cm^6/mol^2/s'), n=3.89, Ea=(263.1,'cal/mol'), T0=(1,'K')), alpha=-0.1166, T3=(1143.9,'K'), T1=(457.12,'K'), T2=(789.68,'K'), efficiencies={})
H298 (kcal/mol) = 3.36
S298 (cal/mol*K) = 9.13
G298 (kcal/mol) = 0.64
! Library reaction: DolletSi2H4 ! Flux pairs: Si(8), SiH2Si(11); SiH4(1), H2(3); SiH4(1)+Si(8)(+M)=>H2(3)+SiH2Si(11)(+M) 3.850e-05 5.010 -0.054 LOW/ 3.340e+00 3.890 0.263 / TROE/ -1.166e-01 1.14e+03 457 790 / DUPLICATE
16. SiH4(1) + Si(8) → H2(3) + SiH2Si(11) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) +3.5+3.3+3.1+3.0
log10(k(10 bar)/[mole,m,s]) +4.0+4.1+4.0+3.9
Troe(arrheniusHigh=Arrhenius(A=(262,'cm^3/mol/s'), n=2.83, Ea=(-1546.7,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.37e+14,'cm^6/mol^2/s'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), alpha=-0.1859, T3=(272.14,'K'), T1=(-1971.8,'K'), T2=(399.69,'K'), efficiencies={})
H298 (kcal/mol) = 3.36
S298 (cal/mol*K) = 9.13
G298 (kcal/mol) = 0.64
! Library reaction: DolletSi2H4 ! Flux pairs: Si(8), SiH2Si(11); SiH4(1), H2(3); SiH4(1)+Si(8)(+M)=>H2(3)+SiH2Si(11)(+M) 2.620e+02 2.830 -1.547 LOW/ 2.370e+14 0.000 0.000 / TROE/ -1.859e-01 272 -1.97e+03 400 / DUPLICATE
17. SiH4(1) + Si(8) → SiH3(9) + SiH(10) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) -7.8-2.9-1.3-0.4
log10(k(10 bar)/[mole,m,s]) -6.8-1.9-0.3+0.6
Troe(arrheniusHigh=Arrhenius(A=(42700,'cm^3/mol/s'), n=2.25, Ea=(21604,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(6.19e+08,'cm^6/mol^2/s'), n=1.33, Ea=(21956,'cal/mol'), T0=(1,'K')), alpha=2.627, T3=(876.57,'K'), T1=(1485.5,'K'), T2=(1947.7,'K'), efficiencies={})
H298 (kcal/mol) = 22.61
S298 (cal/mol*K) = 12.19
G298 (kcal/mol) = 18.98
! Library reaction: DolletSi2H4 ! Flux pairs: Si(8), SiH(10); SiH4(1), SiH3(9); SiH4(1)+Si(8)(+M)=>SiH3(9)+SiH(10)(+M) 4.270e+04 2.250 21.604 LOW/ 6.190e+08 1.330 21.956 / TROE/ 2.627e+00 877 1.49e+03 1.95e+03 /
18. SiH4(1) + Si(8) → SiH2(2) + SiH2(2) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) -4.4-1.3-0.1+0.5
log10(k(10 bar)/[mole,m,s]) -3.6-0.4+0.8+1.5
Troe(arrheniusHigh=Arrhenius(A=(5.95e-05,'cm^3/mol/s'), n=4.61, Ea=(10819,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(10300,'cm^6/mol^2/s'), n=2.76, Ea=(11784,'cal/mol'), T0=(1,'K')), alpha=-0.1364, T3=(331.49,'K'), T1=(-1772.6,'K'), T2=(482.17,'K'), efficiencies={})
H298 (kcal/mol) = 12.45
S298 (cal/mol*K) = 12.14
G298 (kcal/mol) = 8.83
! Library reaction: DolletSi2H4 ! Flux pairs: Si(8), SiH2(2); SiH4(1), SiH2(2); SiH4(1)+Si(8)(+M)=>SiH2(2)+SiH2(2)(+M) 5.950e-05 4.610 10.819 LOW/ 1.030e+04 2.760 11.784 / TROE/ -1.364e-01 331 -1.77e+03 482 /
20. SiH3(9) + SiH(10) → H4Si2(7) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) +3.7+3.4+3.3+3.2
log10(k(10 bar)/[mole,m,s]) +4.5+4.4+4.2+4.1
Troe(arrheniusHigh=Arrhenius(A=(2.77e+09,'cm^3/mol/s'), n=0.849, Ea=(-302.59,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.46e+14,'cm^6/mol^2/s'), n=0.0304, Ea=(173.36,'cal/mol'), T0=(1,'K')), alpha=-0.5098, T3=(48.255,'K'), T1=(-17400,'K'), T2=(20.582,'K'), efficiencies={})
H298 (kcal/mol) = -71.36
S298 (cal/mol*K) = -34.89
G298 (kcal/mol) = -60.96
! Library reaction: DolletSi2H4 ! Flux pairs: SiH3(9), H4Si2(7); SiH(10), H4Si2(7); SiH3(9)+SiH(10)(+M)=>H4Si2(7)(+M) 2.770e+09 0.849 -0.303 LOW/ 2.460e+14 0.030 0.173 / TROE/ -5.098e-01 48.3 -1.74e+04 20.6 /
22. SiH3(9) + SiH(10) → H2(3) + Si2H2(12) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) +nan+nan+nan+nan
log10(k(10 bar)/[mole,m,s]) +nan+nan+nan+nan
Troe(arrheniusHigh=Arrhenius(A=(1.41e+08,'cm^3/mol/s'), n=0.9108, Ea=(-496.46,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(5.26e+13,'cm^6/mol^2/s'), n=-0.12, Ea=(94.685,'cal/mol'), T0=(1,'K')), alpha=-0.5218, T3=(-0.5232,'K'), T1=(16.824,'K'), T2=(36.524,'K'), efficiencies={})
H298 (kcal/mol) = -27.13
S298 (cal/mol*K) = -4.70
G298 (kcal/mol) = -25.73
! Library reaction: DolletSi2H4 ! Flux pairs: SiH(10), Si2H2(12); SiH3(9), H2(3); SiH3(9)+SiH(10)(+M)=>H2(3)+Si2H2(12)(+M) 1.410e+08 0.911 -0.496 LOW/ 5.260e+13 -0.120 0.095 / TROE/ -5.218e-01 -0.523 16.8 36.5 /
24. SiH(10) + H(13) ⇔ SiH2(2) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -79.25
S298 (cal/mol*K) = -25.20
G298 (kcal/mol) = -71.74
! Template reaction: R_Recombination ! Flux pairs: SiH(10), SiH2(2); H(13), SiH2(2); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) SiH(10)+H(13)=SiH2(2) 7.206e+12 0.101 -0.195
29. SiH2(2) + H(13) ⇔ H2(3) + SiH(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -24.95
S298 (cal/mol*K) = 1.59
G298 (kcal/mol) = -25.43
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); H(13), H2(3); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H(13)=H2(3)+SiH(10) 2.514e+08 2.070 0.403
30. SiH2(2) + SiH3(9) ⇔ SiH4(1) + SiH(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -13.17
S298 (cal/mol*K) = -5.18
G298 (kcal/mol) = -11.63
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); SiH3(9), SiH4(1); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH2(2)+SiH3(9)=SiH4(1)+SiH(10) 7.792e+02 3.620 -0.129
41. SiH3SiH(5) + SiH3SiH(5) ⇔ H8Si4(20) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -49.01
S298 (cal/mol*K) = -45.04
G298 (kcal/mol) = -35.59
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H8Si4(20); SiH3SiH(5), H8Si4(20); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 SiH3SiH(5)+SiH3SiH(5)=H8Si4(20) 1.080e+11 0.000 -9.100
46. Si2H6(4) + SiH3SiH(5) ⇔ H10Si4(22) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -49.04
S298 (cal/mol*K) = -42.41
G298 (kcal/mol) = -36.40
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H10Si4(22); Si2H6(4), H10Si4(22); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 Si2H6(4)+SiH3SiH(5)=H10Si4(22) 2.160e+11 0.000 -9.100
56. H2Si2(24) + SiH3SiH(5) ⇔ H6Si4(28) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -31.26
S298 (cal/mol*K) = -38.50
G298 (kcal/mol) = -19.79
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H6Si4(28); H2Si2(24), H6Si4(28); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H2Si2(24)+SiH3SiH(5)=H6Si4(28) 3.348e+15 0.000 -0.454
57. H2Si2(24) + Si2H6(4) ⇔ H8Si4(29) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.0+9.9+9.9+9.9
Arrhenius(A=(6.696e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -30.68
S298 (cal/mol*K) = -53.17
G298 (kcal/mol) = -14.84
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H8Si4(29); H2Si2(24), H8Si4(29); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 36 H2Si2(24)+Si2H6(4)=H8Si4(29) 6.696e+15 0.000 -0.454
58. H(13) + HSi2(33) ⇔ SiH2Si(11) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -33.07
G298 (kcal/mol) = -72.93
! Template reaction: R_Recombination ! Flux pairs: HSi2(33), SiH2Si(11); H(13), SiH2Si(11); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+HSi2(33)=SiH2Si(11) 7.206e+12 0.101 -0.195
61. H3Si2(23) + SiH(10) ⇔ SiH2(2) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -1.9+2.8+4.3+5.1
Arrhenius(A=(1.28e+07,'m^3/(mol*s)'), n=0.1, Ea=(88.9518,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.72
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -4.88
! Template reaction: H_Abstraction ! Flux pairs: SiH(10), SiH2(2); H3Si2(23), SiH2Si(11); ! Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 H3Si2(23)+SiH(10)=SiH2(2)+SiH2Si(11) 1.280e+13 0.100 21.260
63. SiH2Si(11) + H(13) ⇔ H2(3) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.3+8.5+8.7
Arrhenius(A=(7.95e+08,'cm^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sid_Si_H2;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 9.46
G298 (kcal/mol) = -24.24
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); SiH2Si(11), HSi2(33); ! Exact match found for rate rule (Sid_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 4 SiH2Si(11)+H(13)=H2(3)+HSi2(33) 7.950e+08 1.760 -0.339
65. SiH3(9) + SiH2Si(11) ⇔ SiH4(1) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 2.69
G298 (kcal/mol) = -10.44
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); SiH2Si(11), HSi2(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(9)+SiH2Si(11)=SiH4(1)+HSi2(33) 7.792e+02 3.620 -0.129
70. H3Si2(23) + HSi2(33) ⇔ SiH2Si(11) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.26
S298 (cal/mol*K) = -10.71
G298 (kcal/mol) = -6.06
! Template reaction: H_Abstraction ! Flux pairs: HSi2(33), SiH2Si(11); H3Si2(23), SiH2Si(11); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) H3Si2(23)+HSi2(33)=SiH2Si(11)+SiH2Si(11) 3.153e+09 1.172 4.009
73. HSi2(25) + SiH(10) ⇔ SiH2(2) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -1.9+2.8+4.3+5.1
Arrhenius(A=(1.28e+07,'m^3/(mol*s)'), n=0.1, Ea=(88.9518,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.72
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -4.88
! Template reaction: H_Abstraction ! Flux pairs: SiH(10), SiH2(2); HSi2(25), Si2(34); ! Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 HSi2(25)+SiH(10)=SiH2(2)+Si2(34) 1.280e+13 0.100 21.260
82. HSi2(25) + HSi2(33) ⇔ SiH2Si(11) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.26
S298 (cal/mol*K) = -10.71
G298 (kcal/mol) = -6.06
! Template reaction: H_Abstraction ! Flux pairs: HSi2(33), SiH2Si(11); HSi2(25), Si2(34); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) HSi2(25)+HSi2(33)=SiH2Si(11)+Si2(34) 3.153e+09 1.172 4.009
83. SiH3(9) + HSi2(33) ⇔ H4Si3(35) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -66.54
S298 (cal/mol*K) = -45.55
G298 (kcal/mol) = -52.97
! Template reaction: R_Recombination ! Flux pairs: HSi2(33), H4Si3(35); SiH3(9), H4Si3(35); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) SiH3(9)+HSi2(33)=H4Si3(35) 7.206e+12 0.101 -0.195
84. H3Si3(38) + H(13) ⇔ H4Si3(35) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -29.04
G298 (kcal/mol) = -80.79
! Template reaction: R_Recombination ! Flux pairs: H3Si3(38), H4Si3(35); H(13), H4Si3(35); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H3Si3(38)+H(13)=H4Si3(35) 7.206e+12 0.101 -0.195
85. H3Si3(39) + H(13) ⇔ H4Si3(35) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H3Si3(39), H4Si3(35); H(13), H4Si3(35); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H3Si3(39)+H(13)=H4Si3(35) 7.206e+12 0.101 -0.195
86. H2Si3(40) + H2(3) ⇔ H4Si3(35) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.37
S298 (cal/mol*K) = -13.39
G298 (kcal/mol) = -25.38
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H4Si3(35); H2Si3(40), H4Si3(35); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2Si3(40)+H2(3)=H4Si3(35) 7.600e+12 0.000 0.800
88. H5Si3(41) + SiH(10) ⇔ H4Si3(35) + SiH2(2) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -1.9+2.8+4.3+5.1
Arrhenius(A=(1.28e+07,'m^3/(mol*s)'), n=0.1, Ea=(88.9518,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.72
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -4.88
! Template reaction: H_Abstraction ! Flux pairs: SiH(10), SiH2(2); H5Si3(41), H4Si3(35); ! Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 H5Si3(41)+SiH(10)=H4Si3(35)+SiH2(2) 1.280e+13 0.100 21.260
92. H4Si3(35) + H(13) ⇔ H3Si3(38) + H2(3) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 5.43
G298 (kcal/mol) = -16.38
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H4Si3(35), H3Si3(38); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H4Si3(35)+H(13)=H3Si3(38)+H2(3) 1.130e+10 1.820 -1.467
93. H4Si3(35) + H(13) ⇔ H3Si3(39) + H2(3) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.7+7.9+8.1
Arrhenius(A=(198.75,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad)""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H4Si3(35), H3Si3(39); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) H4Si3(35)+H(13)=H3Si3(39)+H2(3) 1.988e+08 1.760 -0.339
95. H4Si3(35) + SiH3(9) ⇔ SiH4(1) + H3Si3(38) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -2.58
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H4Si3(35), H3Si3(38); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H4Si3(35)+SiH3(9)=SiH4(1)+H3Si3(38) 2.700e+03 3.580 -1.503
96. H4Si3(35) + SiH3(9) ⇔ SiH4(1) + H3Si3(39) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H4Si3(35), H3Si3(39); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) H4Si3(35)+SiH3(9)=SiH4(1)+H3Si3(39) 1.948e+02 3.620 -0.129
98. H4Si3(35) + SiH3SiH(5) ⇔ H8Si5(42) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -52.63
S298 (cal/mol*K) = -38.78
G298 (kcal/mol) = -41.07
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H8Si5(42); H4Si3(35), H8Si5(42); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H4Si3(35)+SiH3SiH(5)=H8Si5(42) 1.080e+11 0.000 -9.100
102. H2Si2(24) + H4Si3(35) ⇔ H6Si5(43) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = -89.47
G298 (kcal/mol) = -13.97
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H6Si5(43); H4Si3(35), H6Si5(43); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H2Si2(24)+H4Si3(35)=H6Si5(43) 3.348e+15 0.000 -0.454
103. H5Si3(41) + HSi2(33) ⇔ H4Si3(35) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -10.71
G298 (kcal/mol) = -6.06
! Template reaction: H_Abstraction ! Flux pairs: HSi2(33), SiH2Si(11); H5Si3(41), H4Si3(35); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) H5Si3(41)+HSi2(33)=H4Si3(35)+SiH2Si(11) 3.153e+09 1.172 4.009
104. H3Si2(23) + H3Si3(38) ⇔ H4Si3(35) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H3Si3(38), H4Si3(35); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H3Si2(23)+H3Si3(38)=H4Si3(35)+SiH2Si(11) 3.153e+09 1.172 4.009
105. H3Si2(23) + H3Si3(39) ⇔ H4Si3(35) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.26
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H3Si3(39), H4Si3(35); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H3Si2(23)+H3Si3(39)=H4Si3(35)+SiH2Si(11) 3.153e+09 1.172 4.009
106. HSi2(25) + H3Si3(38) ⇔ H4Si3(35) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H3Si3(38), H4Si3(35); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) HSi2(25)+H3Si3(38)=H4Si3(35)+Si2(34) 3.153e+09 1.172 4.009
107. HSi2(25) + H3Si3(39) ⇔ H4Si3(35) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.26
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H3Si3(39), H4Si3(35); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) HSi2(25)+H3Si3(39)=H4Si3(35)+Si2(34) 3.153e+09 1.172 4.009
108. H4Si3(35) + Si2(34) ⇔ H4Si5(45) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = -92.22
G298 (kcal/mol) = -13.15
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H4Si5(45); H4Si3(35), H4Si5(45); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H4Si3(35)+Si2(34)=H4Si5(45) 3.348e+15 0.000 -0.454
109. H5Si3(41) + H3Si3(38) ⇔ H4Si3(35) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(38), H4Si3(35); H5Si3(41), H4Si3(35); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si3(41)+H3Si3(38)=H4Si3(35)+H4Si3(35) 3.153e+09 1.172 4.009
110. H5Si3(41) + H3Si3(39) ⇔ H4Si3(35) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(39), H4Si3(35); H5Si3(41), H4Si3(35); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H5Si3(41)+H3Si3(39)=H4Si3(35)+H4Si3(35) 3.153e+09 1.172 4.009
112. H(13) + H5Si3(46) ⇔ H6Si3(27) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -29.04
G298 (kcal/mol) = -80.79
! Template reaction: R_Recombination ! Flux pairs: H5Si3(46), H6Si3(27); H(13), H6Si3(27); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H5Si3(46)=H6Si3(27) 7.206e+12 0.101 -0.195
114. H(13) + H5Si3(47) ⇔ H6Si3(27) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H5Si3(47), H6Si3(27); H(13), H6Si3(27); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H5Si3(47)=H6Si3(27) 7.206e+12 0.101 -0.195
115. H2(3) + H4Si3(48) ⇔ H6Si3(27) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.37
S298 (cal/mol*K) = -13.39
G298 (kcal/mol) = -25.38
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H6Si3(27); H4Si3(48), H6Si3(27); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H4Si3(48)=H6Si3(27) 7.600e+12 0.000 0.800
116. H6Si3(27) + SiH2(2) ⇔ H8Si4(29) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -52.62
S298 (cal/mol*K) = -34.05
G298 (kcal/mol) = -42.47
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H8Si4(29); H6Si3(27), H8Si4(29); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si3(27)+SiH2(2)=H8Si4(29) 5.580e+14 0.000 -0.454
117. H6Si3(27) + Si(14) ⇔ H6Si4(28) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+9.4+9.5+9.5
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(1.92575,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18 Ea raised from -1.9 to 1.9 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.06
S298 (cal/mol*K) = -15.55
G298 (kcal/mol) = 4.69
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H6Si4(28); H6Si3(27), H6Si4(28); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -1.9 to 1.9 kJ/mol to match endothermicity of reaction. H6Si3(27)+Si(14)=H6Si4(28) 3.348e+15 0.000 0.460
118. H6Si3(27) + H(13) ⇔ H2(3) + H5Si3(46) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 5.43
G298 (kcal/mol) = -16.38
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H6Si3(27), H5Si3(46); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H6Si3(27)+H(13)=H2(3)+H5Si3(46) 1.130e+10 1.820 -1.467
120. H6Si3(27) + H(13) ⇔ H2(3) + H5Si3(47) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.7+7.9+8.1
Arrhenius(A=(198.75,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad)""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H6Si3(27), H5Si3(47); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) H6Si3(27)+H(13)=H2(3)+H5Si3(47) 1.988e+08 1.760 -0.339
121. H6Si3(27) + SiH3(9) ⇔ SiH4(1) + H5Si3(46) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -2.58
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H6Si3(27), H5Si3(46); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H6Si3(27)+SiH3(9)=SiH4(1)+H5Si3(46) 2.700e+03 3.580 -1.503
123. H6Si3(27) + SiH3(9) ⇔ SiH4(1) + H5Si3(47) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H6Si3(27), H5Si3(47); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) H6Si3(27)+SiH3(9)=SiH4(1)+H5Si3(47) 1.948e+02 3.620 -0.129
124. H6Si3(27) + SiH3SiH(5) ⇔ H10Si5(49) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -52.63
S298 (cal/mol*K) = -38.78
G298 (kcal/mol) = -41.07
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H10Si5(49); H6Si3(27), H10Si5(49); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si3(27)+SiH3SiH(5)=H10Si5(49) 1.080e+11 0.000 -9.100
125. H2Si2(24) + H6Si3(27) ⇔ H8Si5(50) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = -90.85
G298 (kcal/mol) = -13.56
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H8Si5(50); H6Si3(27), H8Si5(50); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H2Si2(24)+H6Si3(27)=H8Si5(50) 3.348e+15 0.000 -0.454
126. H3Si2(23) + H5Si3(46) ⇔ H6Si3(27) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H5Si3(46), H6Si3(27); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H3Si2(23)+H5Si3(46)=H6Si3(27)+SiH2Si(11) 3.153e+09 1.172 4.009
128. H3Si2(23) + H5Si3(47) ⇔ H6Si3(27) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.26
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H5Si3(47), H6Si3(27); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H3Si2(23)+H5Si3(47)=H6Si3(27)+SiH2Si(11) 3.153e+09 1.172 4.009
129. HSi2(25) + H5Si3(46) ⇔ H6Si3(27) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H5Si3(46), H6Si3(27); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) HSi2(25)+H5Si3(46)=H6Si3(27)+Si2(34) 3.153e+09 1.172 4.009
131. HSi2(25) + H5Si3(47) ⇔ H6Si3(27) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.26
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H5Si3(47), H6Si3(27); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) HSi2(25)+H5Si3(47)=H6Si3(27)+Si2(34) 3.153e+09 1.172 4.009
132. H6Si3(27) + Si2(34) ⇔ H6Si5(43) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = -90.85
G298 (kcal/mol) = -13.56
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H6Si5(43); H6Si3(27), H6Si5(43); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si3(27)+Si2(34)=H6Si5(43) 3.348e+15 0.000 -0.454
133. H5Si3(41) + H5Si3(46) ⇔ H6Si3(27) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H5Si3(46), H6Si3(27); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si3(41)+H5Si3(46)=H6Si3(27)+H4Si3(35) 3.153e+09 1.172 4.009
135. H5Si3(41) + H5Si3(47) ⇔ H6Si3(27) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H5Si3(47), H6Si3(27); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H5Si3(41)+H5Si3(47)=H6Si3(27)+H4Si3(35) 3.153e+09 1.172 4.009
136. SiH(10) + SiH(10) ⇔ Si2H2(12) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -71.26
S298 (cal/mol*K) = -31.45
G298 (kcal/mol) = -61.89
! Template reaction: R_Recombination ! Flux pairs: SiH(10), Si2H2(12); SiH(10), Si2H2(12); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) SiH(10)+SiH(10)=Si2H2(12) 7.206e+12 0.101 -0.195
137. H(13) + HSi2(52) ⇔ Si2H2(12) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -77.36
S298 (cal/mol*K) = -23.88
G298 (kcal/mol) = -70.24
! Template reaction: R_Recombination ! Flux pairs: HSi2(52), Si2H2(12); H(13), Si2H2(12); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+HSi2(52)=Si2H2(12) 7.206e+12 0.101 -0.195
139. Si2H2(12) + H(13) ⇔ H2(3) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+8.2+8.6+8.9
Arrhenius(A=(125.681,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -26.85
S298 (cal/mol*K) = 0.27
G298 (kcal/mol) = -26.93
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); Si2H2(12), HSi2(52); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(12)+H(13)=H2(3)+HSi2(52) 1.257e+08 2.070 0.403
140. SiH3(9) + Si2H2(12) ⇔ SiH4(1) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -15.07
S298 (cal/mol*K) = -6.50
G298 (kcal/mol) = -13.13
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); Si2H2(12), HSi2(52); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 2 SiH3(9)+Si2H2(12)=SiH4(1)+HSi2(52) 3.896e+02 3.620 -0.129
141. SiH3SiH(5) + Si2H2(12) ⇔ H6Si4(53) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -28.87
S298 (cal/mol*K) = -39.03
G298 (kcal/mol) = -17.24
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H6Si4(53); Si2H2(12), H6Si4(53); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 SiH3SiH(5)+Si2H2(12)=H6Si4(53) 2.160e+11 0.000 -9.100
142. Si2H6(4) + Si2H2(12) ⇔ H8Si4(20) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+7.6+7.0+6.6
Arrhenius(A=(432000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 72""")
H298 (kcal/mol) = -28.91
S298 (cal/mol*K) = -33.65
G298 (kcal/mol) = -18.88
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H8Si4(20); Si2H2(12), H8Si4(20); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 72 Si2H6(4)+Si2H2(12)=H8Si4(20) 4.320e+11 0.000 -9.100
143. H3Si2(23) + HSi2(52) ⇔ SiH2Si(11) + Si2H2(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -3.83
S298 (cal/mol*K) = -1.51
G298 (kcal/mol) = -3.38
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); HSi2(52), Si2H2(12); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H3Si2(23)+HSi2(52)=SiH2Si(11)+Si2H2(12) 3.153e+09 1.172 4.009
144. HSi2(25) + HSi2(52) ⇔ Si2H2(12) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -3.83
S298 (cal/mol*K) = -1.51
G298 (kcal/mol) = -3.37
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); HSi2(52), Si2H2(12); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) HSi2(25)+HSi2(52)=Si2H2(12)+Si2(34) 3.153e+09 1.172 4.009
145. H5Si3(41) + HSi2(52) ⇔ H4Si3(35) + Si2H2(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -3.83
S298 (cal/mol*K) = -1.51
G298 (kcal/mol) = -3.37
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); HSi2(52), Si2H2(12); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H5Si3(41)+HSi2(52)=H4Si3(35)+Si2H2(12) 3.153e+09 1.172 4.009
146. H4Si3(35) + Si2H2(12) ⇔ H6Si5(54) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -32.49
S298 (cal/mol*K) = -31.39
G298 (kcal/mol) = -23.14
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si3(35), H6Si5(54); Si2H2(12), H6Si5(54); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 H4Si3(35)+Si2H2(12)=H6Si5(54) 2.160e+11 0.000 -9.100
147. H6Si3(27) + Si2H2(12) ⇔ H8Si5(55) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -32.49
S298 (cal/mol*K) = -31.39
G298 (kcal/mol) = -23.14
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(27), H8Si5(55); Si2H2(12), H8Si5(55); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 H6Si3(27)+Si2H2(12)=H8Si5(55) 2.160e+11 0.000 -9.100
150. SiH(10) + H5Si2(21) ⇔ H6Si3(18) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -57.03
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = -46.15
! Template reaction: R_Recombination ! Flux pairs: SiH(10), H6Si3(18); H5Si2(21), H6Si3(18); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) SiH(10)+H5Si2(21)=H6Si3(18) 7.206e+12 0.101 -0.195
151. H(13) + H5Si3(57) ⇔ H6Si3(18) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -75.09
S298 (cal/mol*K) = -27.31
G298 (kcal/mol) = -66.95
! Template reaction: R_Recombination ! Flux pairs: H5Si3(57), H6Si3(18); H(13), H6Si3(18); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H5Si3(57)=H6Si3(18) 7.206e+12 0.101 -0.195
153. SiH4(1) + H6Si3(18) ⇔ H10Si4(22) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.3+6.4+5.8+5.5
Arrhenius(A=(3.8e+10,'cm^3/(mol*s)'), n=0, Ea=(-8.5,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 9 Si2H5SiH + SiH4 <=> nSi4H10 in Silylene_Insertion/training""")
H298 (kcal/mol) = -52.52
S298 (cal/mol*K) = -35.09
G298 (kcal/mol) = -42.07
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H10Si4(22); H6Si3(18), H10Si4(22); ! Matched reaction 9 Si2H5SiH + SiH4 <=> nSi4H10 in Silylene_Insertion/training SiH4(1)+H6Si3(18)=H10Si4(22) 3.800e+10 0.000 -8.500
154. SiH2(2) + H6Si3(18) ⇔ H8Si4(20) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.33
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = -43.26
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H8Si4(20); H6Si3(18), H8Si4(20); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 18 SiH2(2)+H6Si3(18)=H8Si4(20) 5.580e+14 0.000 -0.454
155. SiH2(2) + H6Si3(18) ⇔ H8Si4(60) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +11.1+8.6+7.7+7.3
Arrhenius(A=(1.14e+12,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -57.55
S298 (cal/mol*K) = -36.60
G298 (kcal/mol) = -46.65
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H8Si4(60); H6Si3(18), H8Si4(60); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 12 SiH2(2)+H6Si3(18)=H8Si4(60) 1.140e+12 0.000 -11.600
156. H2(3) + H6Si3(18) ⇔ Si3H8(6) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.9+6.3+6.5+6.6
Arrhenius(A=(6.02e+12,'cm^3/(mol*s)'), n=0, Ea=(2.1,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 13 Si2H5SiH + H2 <=> Si3H8-1 in Silylene_Insertion/training""")
H298 (kcal/mol) = -56.49
S298 (cal/mol*K) = -33.19
G298 (kcal/mol) = -46.60
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), Si3H8(6); H6Si3(18), Si3H8(6); ! Matched reaction 13 Si2H5SiH + H2 <=> Si3H8-1 in Silylene_Insertion/training H2(3)+H6Si3(18)=Si3H8(6) 6.020e+12 0.000 2.100
157. Si(14) + H6Si3(18) ⇔ H6Si4(53) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.4+9.4+9.5+9.5
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(1.61524,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18 Ea raised from -1.9 to 1.6 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.05
S298 (cal/mol*K) = -35.36
G298 (kcal/mol) = 10.49
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H6Si4(53); H6Si3(18), H6Si4(53); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -1.9 to 1.6 kJ/mol to match endothermicity of reaction. Si(14)+H6Si3(18)=H6Si4(53) 3.348e+15 0.000 0.386
158. Si(14) + H6Si3(18) ⇔ H6Si4(61) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+9.3+9.3+9.3
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(0.861184,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12 Ea raised from -1.9 to 0.9 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = 0.00
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H6Si4(61); H6Si3(18), H6Si4(61); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 ! Ea raised from -1.9 to 0.9 kJ/mol to match endothermicity of reaction. Si(14)+H6Si3(18)=H6Si4(61) 2.232e+15 0.000 0.206
160. H(13) + H6Si3(18) ⇔ H2(3) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -29.11
S298 (cal/mol*K) = 3.71
G298 (kcal/mol) = -30.22
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H6Si3(18), H5Si3(57); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 H(13)+H6Si3(18)=H2(3)+H5Si3(57) 2.514e+08 2.070 0.403
162. SiH3(9) + H6Si3(18) ⇔ SiH4(1) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -17.33
S298 (cal/mol*K) = -3.06
G298 (kcal/mol) = -16.42
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H6Si3(18), H5Si3(57); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(9)+H6Si3(18)=SiH4(1)+H5Si3(57) 7.792e+02 3.620 -0.129
163. SiH3SiH(5) + H6Si3(18) ⇔ H10Si5(62) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H10Si5(62); H6Si3(18), H10Si5(62); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 SiH3SiH(5)+H6Si3(18)=H10Si5(62) 2.160e+11 0.000 -9.100
164. SiH3SiH(5) + H6Si3(18) ⇔ H10Si5(63) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -57.57
S298 (cal/mol*K) = -41.32
G298 (kcal/mol) = -45.25
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H10Si5(63); H6Si3(18), H10Si5(63); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 SiH3SiH(5)+H6Si3(18)=H10Si5(63) 7.200e+10 0.000 -9.100
165. Si2H6(4) + H6Si3(18) ⇔ H12Si5(64) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -53.38
S298 (cal/mol*K) = -35.91
G298 (kcal/mol) = -42.68
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H12Si5(64); H6Si3(18), H12Si5(64); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 Si2H6(4)+H6Si3(18)=H12Si5(64) 2.160e+11 0.000 -9.100
166. H2Si2(24) + H6Si3(18) ⇔ H8Si5(55) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -50.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H8Si5(55); H6Si3(18), H8Si5(55); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H2Si2(24)+H6Si3(18)=H8Si5(55) 3.348e+15 0.000 -0.454
167. H2Si2(24) + H6Si3(18) ⇔ H8Si5(65) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.00
S298 (cal/mol*K) = -35.12
G298 (kcal/mol) = -24.53
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H8Si5(65); H6Si3(18), H8Si5(65); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H2Si2(24)+H6Si3(18)=H8Si5(65) 2.232e+15 0.000 -0.454
169. H3Si2(23) + H5Si3(57) ⇔ SiH2Si(11) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H5Si3(57), H6Si3(18); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H3Si2(23)+H5Si3(57)=SiH2Si(11)+H6Si3(18) 3.153e+09 1.172 4.009
171. HSi2(25) + H5Si3(57) ⇔ H6Si3(18) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H5Si3(57), H6Si3(18); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) HSi2(25)+H5Si3(57)=H6Si3(18)+Si2(34) 3.153e+09 1.172 4.009
172. H6Si3(18) + Si2(34) ⇔ H6Si5(54) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -52.06
G298 (kcal/mol) = -19.48
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H6Si5(54); H6Si3(18), H6Si5(54); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si3(18)+Si2(34)=H6Si5(54) 3.348e+15 0.000 -0.454
173. H6Si3(18) + Si2(34) ⇔ H6Si5(68) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.00
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = -24.12
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H6Si5(68); H6Si3(18), H6Si5(68); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si3(18)+Si2(34)=H6Si5(68) 2.232e+15 0.000 -0.454
175. H5Si3(41) + H5Si3(57) ⇔ H4Si3(35) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H5Si3(57), H6Si3(18); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H5Si3(41)+H5Si3(57)=H4Si3(35)+H6Si3(18) 3.153e+09 1.172 4.009
176. H4Si3(35) + H6Si3(18) ⇔ H10Si6(69) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -56.97
S298 (cal/mol*K) = -32.28
G298 (kcal/mol) = -47.35
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si3(35), H10Si6(69); H6Si3(18), H10Si6(69); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H4Si3(35)+H6Si3(18)=H10Si6(69) 1.080e+11 0.000 -9.100
177. H6Si3(27) + H6Si3(18) ⇔ H12Si6(70) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -56.97
S298 (cal/mol*K) = -32.28
G298 (kcal/mol) = -47.35
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(27), H12Si6(70); H6Si3(18), H12Si6(70); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si3(27)+H6Si3(18)=H12Si6(70) 1.080e+11 0.000 -9.100
178. Si2H2(12) + H6Si3(18) ⇔ H8Si5(71) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -33.21
S298 (cal/mol*K) = -32.53
G298 (kcal/mol) = -23.52
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H8Si5(71); H6Si3(18), H8Si5(71); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 Si2H2(12)+H6Si3(18)=H8Si5(71) 2.160e+11 0.000 -9.100
179. Si2H2(12) + H6Si3(18) ⇔ H8Si5(72) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(144000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -37.43
S298 (cal/mol*K) = -33.94
G298 (kcal/mol) = -27.32
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H8Si5(72); H6Si3(18), H8Si5(72); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 24 Si2H2(12)+H6Si3(18)=H8Si5(72) 1.440e+11 0.000 -9.100
180. H6Si3(18) + H6Si3(18) ⇔ H12Si6(73) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -57.69
S298 (cal/mol*K) = -32.04
G298 (kcal/mol) = -48.14
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(18), H12Si6(73); H6Si3(18), H12Si6(73); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si3(18)+H6Si3(18)=H12Si6(73) 1.080e+11 0.000 -9.100
181. H6Si3(18) + H6Si3(18) ⇔ H12Si6(74) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -61.91
S298 (cal/mol*K) = -34.82
G298 (kcal/mol) = -51.53
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(18), H12Si6(74); H6Si3(18), H12Si6(74); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si3(18)+H6Si3(18)=H12Si6(74) 7.200e+10 0.000 -9.100
183. HSi2(25) + SiH2(2) ⇔ H2Si2(24) + SiH(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.53
S298 (cal/mol*K) = -7.87
G298 (kcal/mol) = -1.19
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); HSi2(25), H2Si2(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 HSi2(25)+SiH2(2)=H2Si2(24)+SiH(10) 7.792e+02 3.620 -0.129
191. HSi2(25) + SiH2Si(11) ⇔ H2Si2(24) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(11), HSi2(33); HSi2(25), H2Si2(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 HSi2(25)+SiH2Si(11)=H2Si2(24)+HSi2(33) 7.792e+02 3.620 -0.129
193. H2Si2(24) + H3Si3(38) ⇔ HSi2(25) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(38), H4Si3(35); H2Si2(24), HSi2(25); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H3Si3(38)=HSi2(25)+H4Si3(35) 7.792e+02 3.620 -0.129
194. H2Si2(24) + H3Si3(39) ⇔ HSi2(25) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(1.74623e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(39), H4Si3(35); H2Si2(24), HSi2(25); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si2(24)+H3Si3(39)=HSi2(25)+H4Si3(35) 7.792e+02 3.620 0.000
196. HSi2(25) + H4Si3(35) ⇔ H5Si5(92) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = -90.85
G298 (kcal/mol) = -13.56
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si3(35), H5Si5(92); HSi2(25), H5Si5(92); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 HSi2(25)+H4Si3(35)=H5Si5(92) 3.348e+15 0.000 -0.454
197. H2Si2(24) + H5Si3(46) ⇔ H6Si3(27) + HSi2(25) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(46), H6Si3(27); H2Si2(24), HSi2(25); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H5Si3(46)=H6Si3(27)+HSi2(25) 7.792e+02 3.620 -0.129
199. H2Si2(24) + H5Si3(47) ⇔ H6Si3(27) + HSi2(25) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(7.21775e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(47), H6Si3(27); H2Si2(24), HSi2(25); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si2(24)+H5Si3(47)=H6Si3(27)+HSi2(25) 7.792e+02 3.620 0.000
200. H6Si3(27) + HSi2(25) ⇔ H7Si5(93) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = -90.85
G298 (kcal/mol) = -13.56
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(27), H7Si5(93); HSi2(25), H7Si5(93); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si3(27)+HSi2(25)=H7Si5(93) 3.348e+15 0.000 -0.454
201. HSi2(25) + Si2H2(12) ⇔ H2Si2(24) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.43
S298 (cal/mol*K) = -9.19
G298 (kcal/mol) = -2.69
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(12), HSi2(52); HSi2(25), H2Si2(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 HSi2(25)+Si2H2(12)=H2Si2(24)+HSi2(52) 3.896e+02 3.620 -0.129
203. HSi2(25) + H6Si3(18) ⇔ H2Si2(24) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -5.76
G298 (kcal/mol) = -5.98
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(18), H5Si3(57); HSi2(25), H2Si2(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 HSi2(25)+H6Si3(18)=H2Si2(24)+H5Si3(57) 7.792e+02 3.620 -0.129
204. HSi2(25) + H6Si3(18) ⇔ H7Si5(94) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -52.06
G298 (kcal/mol) = -19.48
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(18), H7Si5(94); HSi2(25), H7Si5(94); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 HSi2(25)+H6Si3(18)=H7Si5(94) 3.348e+15 0.000 -0.454
205. HSi2(25) + H6Si3(18) ⇔ H7Si5(95) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.00
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = -24.12
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(18), H7Si5(95); HSi2(25), H7Si5(95); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 HSi2(25)+H6Si3(18)=H7Si5(95) 2.232e+15 0.000 -0.454
207. H2Si2(98) + SiH3(9) ⇔ H5Si3(41) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -66.54
S298 (cal/mol*K) = -44.18
G298 (kcal/mol) = -53.38
! Template reaction: R_Recombination ! Flux pairs: H2Si2(98), H5Si3(41); SiH3(9), H5Si3(41); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) ! Multiplied by reaction path degeneracy 2 H2Si2(98)+SiH3(9)=H5Si3(41) 1.441e+13 0.101 -0.195
208. H4Si3(99) + H(13) ⇔ H5Si3(41) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H4Si3(99), H5Si3(41); H(13), H5Si3(41); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H4Si3(99)+H(13)=H5Si3(41) 7.206e+12 0.101 -0.195
209. H4Si3(100) + H(13) ⇔ H5Si3(41) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -29.04
G298 (kcal/mol) = -80.79
! Template reaction: R_Recombination ! Flux pairs: H4Si3(100), H5Si3(41); H(13), H5Si3(41); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H4Si3(100)+H(13)=H5Si3(41) 7.206e+12 0.101 -0.195
210. H3Si3(101) + H2(3) ⇔ H5Si3(41) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.37
S298 (cal/mol*K) = -13.39
G298 (kcal/mol) = -25.38
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H5Si3(41); H3Si3(101), H5Si3(41); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H3Si3(101)+H2(3)=H5Si3(41) 7.600e+12 0.000 0.800
211. H5Si3(41) + SiH2(2) ⇔ H6Si3(27) + SiH(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.53
S298 (cal/mol*K) = -6.49
G298 (kcal/mol) = -1.60
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); H5Si3(41), H6Si3(27); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H5Si3(41)+SiH2(2)=H6Si3(27)+SiH(10) 7.792e+02 3.620 -0.129
214. H5Si3(41) + H(13) ⇔ H4Si3(99) + H2(3) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.7+7.9+8.1
Arrhenius(A=(198.75,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad)""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H5Si3(41), H4Si3(99); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) H5Si3(41)+H(13)=H4Si3(99)+H2(3) 1.988e+08 1.760 -0.339
215. H5Si3(41) + H(13) ⇔ H4Si3(100) + H2(3) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 5.43
G298 (kcal/mol) = -16.38
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H5Si3(41), H4Si3(100); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H5Si3(41)+H(13)=H4Si3(100)+H2(3) 1.130e+10 1.820 -1.467
217. H5Si3(41) + SiH3(9) ⇔ SiH4(1) + H4Si3(99) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H5Si3(41), H4Si3(99); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) H5Si3(41)+SiH3(9)=SiH4(1)+H4Si3(99) 1.948e+02 3.620 -0.129
218. H5Si3(41) + SiH3(9) ⇔ SiH4(1) + H4Si3(100) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -2.58
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H5Si3(41), H4Si3(100); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H5Si3(41)+SiH3(9)=SiH4(1)+H4Si3(100) 2.700e+03 3.580 -1.503
219. H5Si3(41) + SiH3(9) ⇔ H8Si4(102) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -68.95
S298 (cal/mol*K) = -43.65
G298 (kcal/mol) = -55.94
! Template reaction: R_Recombination ! Flux pairs: SiH3(9), H8Si4(102); H5Si3(41), H8Si4(102); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) H5Si3(41)+SiH3(9)=H8Si4(102) 7.206e+12 0.101 -0.195
221. H5Si3(41) + SiH3SiH(5) ⇔ H9Si5(103) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -52.63
S298 (cal/mol*K) = -38.78
G298 (kcal/mol) = -41.07
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H9Si5(103); H5Si3(41), H9Si5(103); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si3(41)+SiH3SiH(5)=H9Si5(103) 1.080e+11 0.000 -9.100
224. H5Si3(41) + H2Si2(24) ⇔ H7Si5(93) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = -89.47
G298 (kcal/mol) = -13.97
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H7Si5(93); H5Si3(41), H7Si5(93); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si3(41)+H2Si2(24)=H7Si5(93) 3.348e+15 0.000 -0.454
225. H5Si3(41) + SiH2Si(11) ⇔ H6Si3(27) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(11), HSi2(33); H5Si3(41), H6Si3(27); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H5Si3(41)+SiH2Si(11)=H6Si3(27)+HSi2(33) 7.792e+02 3.620 -0.129
226. H3Si2(23) + H4Si3(99) ⇔ H5Si3(41) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H4Si3(99), H5Si3(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H3Si2(23)+H4Si3(99)=H5Si3(41)+SiH2Si(11) 3.153e+09 1.172 4.009
227. H3Si2(23) + H4Si3(100) ⇔ H5Si3(41) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H4Si3(100), H5Si3(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H3Si2(23)+H4Si3(100)=H5Si3(41)+SiH2Si(11) 3.153e+09 1.172 4.009
229. HSi2(25) + H4Si3(99) ⇔ H5Si3(41) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H4Si3(99), H5Si3(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) HSi2(25)+H4Si3(99)=H5Si3(41)+Si2(34) 3.153e+09 1.172 4.009
230. HSi2(25) + H4Si3(100) ⇔ H5Si3(41) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H4Si3(100), H5Si3(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) HSi2(25)+H4Si3(100)=H5Si3(41)+Si2(34) 3.153e+09 1.172 4.009
231. H5Si3(41) + Si2(34) ⇔ H5Si5(92) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = -90.85
G298 (kcal/mol) = -13.56
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H5Si5(92); H5Si3(41), H5Si5(92); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si3(41)+Si2(34)=H5Si5(92) 3.348e+15 0.000 -0.454
232. H6Si3(27) + H3Si3(38) ⇔ H5Si3(41) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(38), H4Si3(35); H6Si3(27), H5Si3(41); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H3Si3(38)=H5Si3(41)+H4Si3(35) 7.792e+02 3.620 -0.129
233. H5Si3(41) + H4Si3(35) ⇔ H6Si3(27) + H3Si3(39) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(5.47152e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(35), H3Si3(39); H5Si3(41), H6Si3(27); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(41)+H4Si3(35)=H6Si3(27)+H3Si3(39) 1.948e+02 3.620 0.000
234. H5Si3(41) + H4Si3(99) ⇔ H5Si3(41) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H4Si3(99), H5Si3(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H5Si3(41)+H4Si3(99)=H5Si3(41)+H4Si3(35) 3.153e+09 1.172 4.009
235. H5Si3(41) + H4Si3(100) ⇔ H5Si3(41) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H4Si3(100), H5Si3(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si3(41)+H4Si3(100)=H5Si3(41)+H4Si3(35) 3.153e+09 1.172 4.009
236. H6Si3(27) + H5Si3(46) ⇔ H5Si3(41) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(46), H6Si3(27); H6Si3(27), H5Si3(41); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H5Si3(46)=H5Si3(41)+H6Si3(27) 7.792e+02 3.620 -0.129
237. H5Si3(41) + H6Si3(27) ⇔ H6Si3(27) + H5Si3(47) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(47); H5Si3(41), H6Si3(27); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H5Si3(41)+H6Si3(27)=H6Si3(27)+H5Si3(47) 1.948e+02 3.620 -0.129
238. H5Si3(41) + Si2H2(12) ⇔ H6Si3(27) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.43
S298 (cal/mol*K) = -7.81
G298 (kcal/mol) = -3.10
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(12), HSi2(52); H5Si3(41), H6Si3(27); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H5Si3(41)+Si2H2(12)=H6Si3(27)+HSi2(52) 3.896e+02 3.620 -0.129
239. H5Si3(41) + Si2H2(12) ⇔ H7Si5(94) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -32.49
S298 (cal/mol*K) = -31.39
G298 (kcal/mol) = -23.14
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H7Si5(94); H5Si3(41), H7Si5(94); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 H5Si3(41)+Si2H2(12)=H7Si5(94) 2.160e+11 0.000 -9.100
241. H5Si3(41) + H6Si3(18) ⇔ H6Si3(27) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -4.38
G298 (kcal/mol) = -6.39
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(18), H5Si3(57); H5Si3(41), H6Si3(27); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H5Si3(41)+H6Si3(18)=H6Si3(27)+H5Si3(57) 7.792e+02 3.620 -0.129
242. H5Si3(41) + H6Si3(18) ⇔ S(105) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -56.97
S298 (cal/mol*K) = -32.28
G298 (kcal/mol) = -47.35
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(18), S(105); H5Si3(41), S(105); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si3(41)+H6Si3(18)=S(105) 1.080e+11 0.000 -9.100
243. H2Si2(24) + H4Si3(99) ⇔ H5Si3(41) + HSi2(25) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(3.72529e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H4Si3(99), H5Si3(41); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si2(24)+H4Si3(99)=H5Si3(41)+HSi2(25) 7.792e+02 3.620 0.000
244. H2Si2(24) + H4Si3(100) ⇔ H5Si3(41) + HSi2(25) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H4Si3(100), H5Si3(41); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H4Si3(100)=H5Si3(41)+HSi2(25) 7.792e+02 3.620 -0.129
246. H5Si3(41) + HSi2(25) ⇔ H6Si5(108) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = -92.22
G298 (kcal/mol) = -13.15
! Template reaction: Silylene_Insertion ! Flux pairs: HSi2(25), H6Si5(108); H5Si3(41), H6Si5(108); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si3(41)+HSi2(25)=H6Si5(108) 3.348e+15 0.000 -0.454
247. H5Si3(41) + H5Si3(41) ⇔ H6Si3(27) + H4Si3(99) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(3.49246e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(99); H5Si3(41), H6Si3(27); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(41)+H5Si3(41)=H6Si3(27)+H4Si3(99) 1.948e+02 3.620 0.000
248. H6Si3(27) + H4Si3(100) ⇔ H5Si3(41) + H5Si3(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(100), H5Si3(41); H6Si3(27), H5Si3(41); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H4Si3(100)=H5Si3(41)+H5Si3(41) 7.792e+02 3.620 -0.129
249. H5Si3(41) + H5Si3(41) ⇔ S(109) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -119.52
S298 (cal/mol*K) = -118.60
G298 (kcal/mol) = -84.18
! Template reaction: R_Recombination ! Flux pairs: H5Si3(41), S(109); H5Si3(41), S(109); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si3(41)+H5Si3(41)=S(109) 7.206e+12 0.101 -0.195
250. H2Si2(98) + H(13) ⇔ H3Si2(23) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H2Si2(98), H3Si2(23); H(13), H3Si2(23); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) ! Multiplied by reaction path degeneracy 2 H2Si2(98)+H(13)=H3Si2(23) 1.441e+13 0.101 -0.195
251. H3Si2(23) + SiH2(2) ⇔ H4Si2(7) + SiH(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.53
S298 (cal/mol*K) = -7.87
G298 (kcal/mol) = -1.19
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); H3Si2(23), H4Si2(7); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+SiH2(2)=H4Si2(7)+SiH(10) 7.792e+02 3.620 -0.129
252. H3Si2(23) + H(13) ⇔ H2Si2(98) + H2(3) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.3+8.5+8.7
Arrhenius(A=(7.95e+08,'cm^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sid_Si_H2;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H3Si2(23), H2Si2(98); ! Exact match found for rate rule (Sid_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+H(13)=H2Si2(98)+H2(3) 7.950e+08 1.760 -0.339
254. H3Si2(23) + SiH3(9) ⇔ SiH4(1) + H2Si2(98) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H3Si2(23), H2Si2(98); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+SiH3(9)=SiH4(1)+H2Si2(98) 7.792e+02 3.620 -0.129
257. H3Si2(23) + SiH2Si(11) ⇔ H4Si2(7) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(11), HSi2(33); H3Si2(23), H4Si2(7); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+SiH2Si(11)=H4Si2(7)+HSi2(33) 7.792e+02 3.620 -0.129
258. H3Si2(23) + H2Si2(98) ⇔ H3Si2(23) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H2Si2(98), H3Si2(23); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(23)+H2Si2(98)=H3Si2(23)+SiH2Si(11) 6.305e+09 1.172 4.009
259. HSi2(25) + H2Si2(98) ⇔ H3Si2(23) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -9.26
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H2Si2(98), H3Si2(23); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 HSi2(25)+H2Si2(98)=H3Si2(23)+Si2(34) 6.305e+09 1.172 4.009
260. H3Si3(38) + H4Si2(7) ⇔ H3Si2(23) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(38), H4Si3(35); H4Si2(7), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H3Si3(38)+H4Si2(7)=H3Si2(23)+H4Si3(35) 1.558e+03 3.620 -0.129
261. H3Si3(39) + H4Si2(7) ⇔ H3Si2(23) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(39), H4Si3(35); H4Si2(7), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 8 H3Si3(39)+H4Si2(7)=H3Si2(23)+H4Si3(35) 1.558e+03 3.620 -0.129
262. H5Si3(41) + H2Si2(98) ⇔ H3Si2(23) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H2Si2(98), H3Si2(23); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H5Si3(41)+H2Si2(98)=H3Si2(23)+H4Si3(35) 6.305e+09 1.172 4.009
263. H4Si2(7) + H5Si3(46) ⇔ H3Si2(23) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(46), H6Si3(27); H4Si2(7), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H5Si3(46)=H3Si2(23)+H6Si3(27) 1.558e+03 3.620 -0.129
264. H4Si2(7) + H5Si3(47) ⇔ H3Si2(23) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(4.65661e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(47), H6Si3(27); H4Si2(7), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si2(7)+H5Si3(47)=H3Si2(23)+H6Si3(27) 1.558e+03 3.620 0.000
265. H3Si2(23) + Si2H2(12) ⇔ H4Si2(7) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.43
S298 (cal/mol*K) = -9.19
G298 (kcal/mol) = -2.69
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(12), HSi2(52); H3Si2(23), H4Si2(7); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(23)+Si2H2(12)=H4Si2(7)+HSi2(52) 3.896e+02 3.620 -0.129
267. H3Si2(23) + H6Si3(18) ⇔ H4Si2(7) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -5.76
G298 (kcal/mol) = -5.98
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(18), H5Si3(57); H3Si2(23), H4Si2(7); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+H6Si3(18)=H4Si2(7)+H5Si3(57) 7.792e+02 3.620 -0.129
268. H2Si2(24) + H2Si2(98) ⇔ H3Si2(23) + HSi2(25) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(0.00714688,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H2Si2(98), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si2(24)+H2Si2(98)=H3Si2(23)+HSi2(25) 1.558e+03 3.620 0.002
269. H4Si3(99) + H4Si2(7) ⇔ H5Si3(41) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(1.04774e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(99), H5Si3(41); H4Si2(7), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si3(99)+H4Si2(7)=H5Si3(41)+H3Si2(23) 1.558e+03 3.620 0.000
270. H4Si3(100) + H4Si2(7) ⇔ H5Si3(41) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(100), H5Si3(41); H4Si2(7), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si3(100)+H4Si2(7)=H5Si3(41)+H3Si2(23) 1.558e+03 3.620 -0.129
271. H5Si3(41) + H3Si2(23) ⇔ H6Si3(27) + H2Si2(98) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H3Si2(23), H2Si2(98); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H5Si3(41)+H3Si2(23)=H6Si3(27)+H2Si2(98) 7.792e+02 3.620 -0.129
272. H2Si2(98) + H4Si2(7) ⇔ H3Si2(23) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.4
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(0.00714688,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 16 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(98), H3Si2(23); H4Si2(7), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 16 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si2(98)+H4Si2(7)=H3Si2(23)+H3Si2(23) 3.117e+03 3.620 0.002
273. H3Si3(38) + SiH3(9) ⇔ H6Si4(37) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -72.98
S298 (cal/mol*K) = -37.94
G298 (kcal/mol) = -61.67
! Template reaction: R_Recombination ! Flux pairs: H3Si3(38), H6Si4(37); SiH3(9), H6Si4(37); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) H3Si3(38)+SiH3(9)=H6Si4(37) 7.206e+12 0.101 -0.195
274. H5Si2(21) + HSi2(33) ⇔ H6Si4(37) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -63.70
S298 (cal/mol*K) = -46.65
G298 (kcal/mol) = -49.80
! Template reaction: R_Recombination ! Flux pairs: HSi2(33), H6Si4(37); H5Si2(21), H6Si4(37); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(21)+HSi2(33)=H6Si4(37) 7.206e+12 0.101 -0.195
275. H(13) + H5Si4(113) ⇔ H6Si4(37) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -86.75
S298 (cal/mol*K) = -28.96
G298 (kcal/mol) = -78.12
! Template reaction: R_Recombination ! Flux pairs: H5Si4(113), H6Si4(37); H(13), H6Si4(37); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H5Si4(113)=H6Si4(37) 7.206e+12 0.101 -0.195
276. H(13) + H5Si4(114) ⇔ H6Si4(37) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -29.04
G298 (kcal/mol) = -80.79
! Template reaction: R_Recombination ! Flux pairs: H5Si4(114), H6Si4(37); H(13), H6Si4(37); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H5Si4(114)=H6Si4(37) 7.206e+12 0.101 -0.195
277. H(13) + H5Si4(115) ⇔ H6Si4(37) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H5Si4(115), H6Si4(37); H(13), H6Si4(37); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H5Si4(115)=H6Si4(37) 7.206e+12 0.101 -0.195
278. H2(3) + H4Si4(116) ⇔ H6Si4(37) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.20
S298 (cal/mol*K) = -12.03
G298 (kcal/mol) = -25.61
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H6Si4(37); H4Si4(116), H6Si4(37); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H4Si4(116)=H6Si4(37) 2.400e+13 0.000 -0.500
279. SiH4(1) + H2Si3(40) ⇔ H6Si4(37) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(1.44e+11,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -24.68
S298 (cal/mol*K) = -15.52
G298 (kcal/mol) = -20.06
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H6Si4(37); H2Si3(40), H6Si4(37); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 24 SiH4(1)+H2Si3(40)=H6Si4(37) 1.440e+11 0.000 -9.100
281. H7Si4(91) + SiH(10) ⇔ H6Si4(37) + SiH2(2) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -1.9+2.8+4.3+5.1
Arrhenius(A=(1.28e+07,'m^3/(mol*s)'), n=0.1, Ea=(88.9518,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.72
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -4.88
! Template reaction: H_Abstraction ! Flux pairs: SiH(10), SiH2(2); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 H7Si4(91)+SiH(10)=H6Si4(37)+SiH2(2) 1.280e+13 0.100 21.260
282. H6Si4(37) + SiH2(2) ⇔ H8Si5(117) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +11.1+8.6+7.7+7.3
Arrhenius(A=(1.14e+12,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -53.89
S298 (cal/mol*K) = -36.23
G298 (kcal/mol) = -43.10
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H8Si5(117); H6Si4(37), H8Si5(117); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si4(37)+SiH2(2)=H8Si5(117) 1.140e+12 0.000 -11.600
283. H6Si4(37) + SiH2(2) ⇔ H8Si5(42) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.34
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = -43.26
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H8Si5(42); H6Si4(37), H8Si5(42); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si4(37)+SiH2(2)=H8Si5(42) 5.580e+14 0.000 -0.454
285. H6Si4(37) + Si(14) ⇔ H6Si5(68) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.3+9.3+9.3
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(1.41468,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12 Ea raised from -1.9 to 1.4 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.06
S298 (cal/mol*K) = -18.43
G298 (kcal/mol) = 5.43
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H6Si5(68); H6Si4(37), H6Si5(68); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 ! Ea raised from -1.9 to 1.4 kJ/mol to match endothermicity of reaction. H6Si4(37)+Si(14)=H6Si5(68) 2.232e+15 0.000 0.338
286. H6Si4(37) + Si(14) ⇔ H6Si5(54) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.4+9.4+9.5+9.5
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(1.61524,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18 Ea raised from -1.9 to 1.6 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.05
S298 (cal/mol*K) = -33.99
G298 (kcal/mol) = 10.08
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H6Si5(54); H6Si4(37), H6Si5(54); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -1.9 to 1.6 kJ/mol to match endothermicity of reaction. H6Si4(37)+Si(14)=H6Si5(54) 3.348e+15 0.000 0.386
287. H6Si4(37) + H(13) ⇔ H2(3) + H5Si4(113) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -17.46
S298 (cal/mol*K) = 5.35
G298 (kcal/mol) = -19.05
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H6Si4(37), H5Si4(113); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 H6Si4(37)+H(13)=H2(3)+H5Si4(113) 2.514e+08 2.070 0.403
288. H6Si4(37) + H(13) ⇔ H2(3) + H5Si4(114) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 5.43
G298 (kcal/mol) = -16.38
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H6Si4(37), H5Si4(114); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(37)+H(13)=H2(3)+H5Si4(114) 1.130e+10 1.820 -1.467
289. H6Si4(37) + H(13) ⇔ H2(3) + H5Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.7+7.9+8.1
Arrhenius(A=(198.75,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad)""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H6Si4(37), H5Si4(115); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) H6Si4(37)+H(13)=H2(3)+H5Si4(115) 1.988e+08 1.760 -0.339
291. H6Si4(37) + SiH3(9) ⇔ SiH4(1) + H5Si4(113) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = -1.42
G298 (kcal/mol) = -5.26
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H6Si4(37), H5Si4(113); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 H6Si4(37)+SiH3(9)=SiH4(1)+H5Si4(113) 7.792e+02 3.620 -0.129
292. H6Si4(37) + SiH3(9) ⇔ SiH4(1) + H5Si4(114) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -2.58
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H6Si4(37), H5Si4(114); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H6Si4(37)+SiH3(9)=SiH4(1)+H5Si4(114) 2.700e+03 3.580 -1.503
293. H6Si4(37) + SiH3(9) ⇔ SiH4(1) + H5Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H6Si4(37), H5Si4(115); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) H6Si4(37)+SiH3(9)=SiH4(1)+H5Si4(115) 1.948e+02 3.620 -0.129
295. H6Si4(37) + SiH3SiH(5) ⇔ S(118) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -53.91
S298 (cal/mol*K) = -40.95
G298 (kcal/mol) = -41.70
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(118); H6Si4(37), S(118); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si4(37)+SiH3SiH(5)=S(118) 7.200e+10 0.000 -9.100
296. H6Si4(37) + SiH3SiH(5) ⇔ H10Si6(69) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H10Si6(69); H6Si4(37), H10Si6(69); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si4(37)+SiH3SiH(5)=H10Si6(69) 1.080e+11 0.000 -9.100
300. H6Si4(37) + H2Si2(24) ⇔ H8Si6(119) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -40.75
S298 (cal/mol*K) = -73.50
G298 (kcal/mol) = -18.85
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H8Si6(119); H6Si4(37), H8Si6(119); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si4(37)+H2Si2(24)=H8Si6(119) 2.232e+15 0.000 -0.454
301. H6Si4(37) + H2Si2(24) ⇔ H8Si6(120) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -50.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H8Si6(120); H6Si4(37), H8Si6(120); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si4(37)+H2Si2(24)=H8Si6(120) 3.348e+15 0.000 -0.454
302. H7Si4(91) + HSi2(33) ⇔ H6Si4(37) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -10.71
G298 (kcal/mol) = -6.06
! Template reaction: H_Abstraction ! Flux pairs: HSi2(33), SiH2Si(11); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) H7Si4(91)+HSi2(33)=H6Si4(37)+SiH2Si(11) 3.153e+09 1.172 4.009
303. H3Si2(23) + H5Si4(113) ⇔ H6Si4(37) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.59
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H5Si4(113), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H3Si2(23)+H5Si4(113)=H6Si4(37)+SiH2Si(11) 3.153e+09 1.172 4.009
304. H3Si2(23) + H5Si4(114) ⇔ H6Si4(37) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H5Si4(114), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H3Si2(23)+H5Si4(114)=H6Si4(37)+SiH2Si(11) 3.153e+09 1.172 4.009
305. H3Si2(23) + H5Si4(115) ⇔ H6Si4(37) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H5Si4(115), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H3Si2(23)+H5Si4(115)=H6Si4(37)+SiH2Si(11) 3.153e+09 1.172 4.009
306. HSi2(25) + H5Si4(113) ⇔ H6Si4(37) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.59
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H5Si4(113), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) HSi2(25)+H5Si4(113)=H6Si4(37)+Si2(34) 3.153e+09 1.172 4.009
307. HSi2(25) + H5Si4(114) ⇔ H6Si4(37) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H5Si4(114), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) HSi2(25)+H5Si4(114)=H6Si4(37)+Si2(34) 3.153e+09 1.172 4.009
308. HSi2(25) + H5Si4(115) ⇔ H6Si4(37) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H5Si4(115), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) HSi2(25)+H5Si4(115)=H6Si4(37)+Si2(34) 3.153e+09 1.172 4.009
309. H6Si4(37) + Si2(34) ⇔ H6Si6(123) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -40.75
S298 (cal/mol*K) = -74.88
G298 (kcal/mol) = -18.44
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H6Si6(123); H6Si4(37), H6Si6(123); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si4(37)+Si2(34)=H6Si6(123) 2.232e+15 0.000 -0.454
310. H6Si4(37) + Si2(34) ⇔ H6Si6(124) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -53.43
G298 (kcal/mol) = -19.07
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H6Si6(124); H6Si4(37), H6Si6(124); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si4(37)+Si2(34)=H6Si6(124) 3.348e+15 0.000 -0.454
311. H3Si3(38) + H7Si4(91) ⇔ H6Si4(37) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(38), H4Si3(35); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H3Si3(38)+H7Si4(91)=H6Si4(37)+H4Si3(35) 3.153e+09 1.172 4.009
312. H3Si3(39) + H7Si4(91) ⇔ H6Si4(37) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(39), H4Si3(35); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H3Si3(39)+H7Si4(91)=H6Si4(37)+H4Si3(35) 3.153e+09 1.172 4.009
313. H5Si3(41) + H5Si4(113) ⇔ H6Si4(37) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.59
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H5Si4(113), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H5Si3(41)+H5Si4(113)=H6Si4(37)+H4Si3(35) 3.153e+09 1.172 4.009
314. H5Si3(41) + H5Si4(114) ⇔ H6Si4(37) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H5Si4(114), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si3(41)+H5Si4(114)=H6Si4(37)+H4Si3(35) 3.153e+09 1.172 4.009
315. H5Si3(41) + H5Si4(115) ⇔ H6Si4(37) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H5Si4(115), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H5Si3(41)+H5Si4(115)=H6Si4(37)+H4Si3(35) 3.153e+09 1.172 4.009
316. H7Si4(91) + H5Si3(46) ⇔ H6Si4(37) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(46), H6Si3(27); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si4(91)+H5Si3(46)=H6Si4(37)+H6Si3(27) 3.153e+09 1.172 4.009
318. H7Si4(91) + H5Si3(47) ⇔ H6Si4(37) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(47), H6Si3(27); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H7Si4(91)+H5Si3(47)=H6Si4(37)+H6Si3(27) 3.153e+09 1.172 4.009
319. H7Si4(91) + HSi2(52) ⇔ H6Si4(37) + Si2H2(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -3.83
S298 (cal/mol*K) = -1.51
G298 (kcal/mol) = -3.37
! Template reaction: H_Abstraction ! Flux pairs: HSi2(52), Si2H2(12); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si4(91)+HSi2(52)=H6Si4(37)+Si2H2(12) 3.153e+09 1.172 4.009
320. H6Si4(37) + Si2H2(12) ⇔ H8Si6(125) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(144000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -33.77
S298 (cal/mol*K) = -33.57
G298 (kcal/mol) = -23.77
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H8Si6(125); H6Si4(37), H8Si6(125); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 24 H6Si4(37)+Si2H2(12)=H8Si6(125) 1.440e+11 0.000 -9.100
321. H6Si4(37) + Si2H2(12) ⇔ H8Si6(83) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -33.21
S298 (cal/mol*K) = -31.15
G298 (kcal/mol) = -23.93
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H8Si6(83); H6Si4(37), H8Si6(83); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 H6Si4(37)+Si2H2(12)=H8Si6(83) 2.160e+11 0.000 -9.100
323. H7Si4(91) + H5Si3(57) ⇔ H6Si4(37) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(57), H6Si3(18); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si4(91)+H5Si3(57)=H6Si4(37)+H6Si3(18) 3.153e+09 1.172 4.009
325. H2Si2(24) + H5Si4(113) ⇔ H6Si4(37) + HSi2(25) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H5Si4(113), H6Si4(37); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H5Si4(113)=H6Si4(37)+HSi2(25) 7.792e+02 3.620 -0.129
326. H2Si2(24) + H5Si4(114) ⇔ H6Si4(37) + HSi2(25) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H5Si4(114), H6Si4(37); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H5Si4(114)=H6Si4(37)+HSi2(25) 7.792e+02 3.620 -0.129
327. H2Si2(24) + H5Si4(115) ⇔ H6Si4(37) + HSi2(25) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H5Si4(115), H6Si4(37); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si2(24)+H5Si4(115)=H6Si4(37)+HSi2(25) 7.792e+02 3.620 0.000
328. H6Si4(37) + HSi2(25) ⇔ H7Si6(126) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -40.75
S298 (cal/mol*K) = -74.88
G298 (kcal/mol) = -18.44
! Template reaction: Silylene_Insertion ! Flux pairs: HSi2(25), H7Si6(126); H6Si4(37), H7Si6(126); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si4(37)+HSi2(25)=H7Si6(126) 2.232e+15 0.000 -0.454
329. H6Si4(37) + HSi2(25) ⇔ H7Si6(127) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -52.06
G298 (kcal/mol) = -19.48
! Template reaction: Silylene_Insertion ! Flux pairs: HSi2(25), H7Si6(127); H6Si4(37), H7Si6(127); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si4(37)+HSi2(25)=H7Si6(127) 3.348e+15 0.000 -0.454
330. H4Si3(99) + H7Si4(91) ⇔ H5Si3(41) + H6Si4(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(99), H5Si3(41); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H4Si3(99)+H7Si4(91)=H5Si3(41)+H6Si4(37) 3.153e+09 1.172 4.009
331. H4Si3(100) + H7Si4(91) ⇔ H5Si3(41) + H6Si4(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(100), H5Si3(41); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H4Si3(100)+H7Si4(91)=H5Si3(41)+H6Si4(37) 3.153e+09 1.172 4.009
333. H6Si3(27) + H5Si4(113) ⇔ H5Si3(41) + H6Si4(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H5Si4(113), H6Si4(37); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H5Si4(113)=H5Si3(41)+H6Si4(37) 7.792e+02 3.620 -0.129
334. H6Si3(27) + H5Si4(114) ⇔ H5Si3(41) + H6Si4(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H5Si4(114), H6Si4(37); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H5Si4(114)=H5Si3(41)+H6Si4(37) 7.792e+02 3.620 -0.129
335. H5Si3(41) + H6Si4(37) ⇔ H6Si3(27) + H5Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(5.47152e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H6Si4(37), H5Si4(115); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(41)+H6Si4(37)=H6Si3(27)+H5Si4(115) 1.948e+02 3.620 0.000
336. H2Si2(98) + H7Si4(91) ⇔ H6Si4(37) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(98), H3Si2(23); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H2Si2(98)+H7Si4(91)=H6Si4(37)+H3Si2(23) 6.305e+09 1.172 4.009
338. H4Si2(7) + H5Si4(113) ⇔ H6Si4(37) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H5Si4(113), H6Si4(37); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H5Si4(113)=H6Si4(37)+H3Si2(23) 1.558e+03 3.620 -0.129
339. H4Si2(7) + H5Si4(114) ⇔ H6Si4(37) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H5Si4(114), H6Si4(37); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H5Si4(114)=H6Si4(37)+H3Si2(23) 1.558e+03 3.620 -0.129
340. H4Si2(7) + H5Si4(115) ⇔ H6Si4(37) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H5Si4(115), H6Si4(37); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H5Si4(115)=H6Si4(37)+H3Si2(23) 1.558e+03 3.620 -0.129
341. H7Si4(91) + H5Si4(113) ⇔ H6Si4(37) + H6Si4(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.59
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(113), H6Si4(37); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si4(91)+H5Si4(113)=H6Si4(37)+H6Si4(37) 3.153e+09 1.172 4.009
342. H7Si4(91) + H5Si4(114) ⇔ H6Si4(37) + H6Si4(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(114), H6Si4(37); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si4(91)+H5Si4(114)=H6Si4(37)+H6Si4(37) 3.153e+09 1.172 4.009
343. H7Si4(91) + H5Si4(115) ⇔ H6Si4(37) + H6Si4(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(115), H6Si4(37); H7Si4(91), H6Si4(37); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H7Si4(91)+H5Si4(115)=H6Si4(37)+H6Si4(37) 3.153e+09 1.172 4.009
344. H3Si3(38) + SiH(10) ⇔ H4Si4(36) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -61.23
S298 (cal/mol*K) = -14.19
G298 (kcal/mol) = -57.00
! Template reaction: R_Recombination ! Flux pairs: SiH(10), H4Si4(36); H3Si3(38), H4Si4(36); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H3Si3(38)+SiH(10)=H4Si4(36) 7.206e+12 0.101 -0.195
345. SiH4(1) + H4Si4(36) ⇔ H8Si5(42) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(1.44e+11,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -51.91
S298 (cal/mol*K) = -52.39
G298 (kcal/mol) = -36.30
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H8Si5(42); H4Si4(36), H8Si5(42); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 24 SiH4(1)+H4Si4(36)=H8Si5(42) 1.440e+11 0.000 -9.100
346. H4Si4(36) + Si2H6(4) ⇔ H10Si6(69) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -52.77
S298 (cal/mol*K) = -53.21
G298 (kcal/mol) = -36.92
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H10Si6(69); H4Si4(36), H10Si6(69); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 H4Si4(36)+Si2H6(4)=H10Si6(69) 2.160e+11 0.000 -9.100
347. SiH2(2) + H2Si(15) ⇔ SiH3(9) + SiH(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.2351,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -11.84
S298 (cal/mol*K) = -1.80
G298 (kcal/mol) = -11.30
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H2Si(15)=SiH3(9)+SiH(10) 1.488e+08 1.617 6.509
348. HSi(138) + H2(3) ⇔ H(13) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -5.1-2.9-2.2-1.8
Arrhenius(A=(200000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (H2;SiH_quartet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -28.47
S298 (cal/mol*K) = -0.52
G298 (kcal/mol) = -28.31
! Template reaction: H_Abstraction ! Flux pairs: H2(3), H(13); HSi(138), H2Si(15); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (H2;SiH_quartet) ! Multiplied by reaction path degeneracy 2 HSi(138)+H2(3)=H(13)+H2Si(15) 2.000e+05 0.000 10.000
349. SiH4(1) + HSi(138) ⇔ SiH3(9) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.2-2.0-1.3-0.9
Arrhenius(A=(1.6e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Si_silane;SiH_quartet) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -40.25
S298 (cal/mol*K) = 6.25
G298 (kcal/mol) = -42.11
! Template reaction: H_Abstraction ! Flux pairs: SiH4(1), SiH3(9); HSi(138), H2Si(15); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Si_silane;SiH_quartet) ! Multiplied by reaction path degeneracy 16 SiH4(1)+HSi(138)=SiH3(9)+H2Si(15) 1.600e+06 0.000 10.000
352. SiH2Si(11) + H2Si(15) ⇔ SiH3(9) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.3275,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -8.31
S298 (cal/mol*K) = 6.07
G298 (kcal/mol) = -10.12
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(11), HSi2(33); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet) ! Multiplied by reaction path degeneracy 4 SiH2Si(11)+H2Si(15)=SiH3(9)+HSi2(33) 1.488e+08 1.617 6.531
353. H3Si2(23) + HSi(138) ⇔ SiH2Si(11) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -2.2+2.5+4.0+4.8
Arrhenius(A=(6.4e+06,'m^3/(mol*s)'), n=0.1, Ea=(88.9518,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_quartet)""")
H298 (kcal/mol) = -59.14
S298 (cal/mol*K) = -1.76
G298 (kcal/mol) = -58.62
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); HSi(138), H2Si(15); ! Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_quartet) H3Si2(23)+HSi(138)=SiH2Si(11)+H2Si(15) 6.400e+12 0.100 21.260
354. HSi2(25) + HSi(138) ⇔ H2Si(15) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -2.2+2.5+4.0+4.8
Arrhenius(A=(6.4e+06,'m^3/(mol*s)'), n=0.1, Ea=(88.9518,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_quartet)""")
H298 (kcal/mol) = -59.14
S298 (cal/mol*K) = -1.76
G298 (kcal/mol) = -58.62
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); HSi(138), H2Si(15); ! Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_quartet) HSi2(25)+HSi(138)=H2Si(15)+Si2(34) 6.400e+12 0.100 21.260
355. H4Si3(35) + H2Si(15) ⇔ H3Si3(38) + SiH3(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = -2.25
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(35), H3Si3(38); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 H4Si3(35)+H2Si(15)=H3Si3(38)+SiH3(9) 3.349e+08 1.617 6.573
356. H4Si3(35) + H2Si(15) ⇔ H3Si3(39) + SiH3(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.1+5.0+5.8+6.2
Arrhenius(A=(37.2059,'m^3/(mol*s)'), n=1.61699, Ea=(27.3275,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet)""")
H298 (kcal/mol) = -8.31
S298 (cal/mol*K) = 4.69
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(35), H3Si3(39); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet) H4Si3(35)+H2Si(15)=H3Si3(39)+SiH3(9) 3.721e+07 1.617 6.531
357. H5Si3(41) + HSi(138) ⇔ H4Si3(35) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -2.2+2.5+4.0+4.8
Arrhenius(A=(6.4e+06,'m^3/(mol*s)'), n=0.1, Ea=(88.9518,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_quartet)""")
H298 (kcal/mol) = -59.14
S298 (cal/mol*K) = -1.76
G298 (kcal/mol) = -58.62
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); HSi(138), H2Si(15); ! Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_quartet) H5Si3(41)+HSi(138)=H4Si3(35)+H2Si(15) 6.400e+12 0.100 21.260
358. H6Si3(27) + H2Si(15) ⇔ SiH3(9) + H5Si3(46) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = -2.25
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(46); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 H6Si3(27)+H2Si(15)=SiH3(9)+H5Si3(46) 3.349e+08 1.617 6.573
359. H6Si3(27) + H2Si(15) ⇔ SiH3(9) + H5Si3(47) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.1+5.0+5.8+6.2
Arrhenius(A=(37.2059,'m^3/(mol*s)'), n=1.61699, Ea=(27.3275,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet)""")
H298 (kcal/mol) = -8.31
S298 (cal/mol*K) = 4.69
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(47); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet) H6Si3(27)+H2Si(15)=SiH3(9)+H5Si3(47) 3.721e+07 1.617 6.531
360. Si2H2(12) + H2Si(15) ⇔ SiH3(9) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.4+5.3+6.1+6.5
Arrhenius(A=(74.4117,'m^3/(mol*s)'), n=1.61699, Ea=(27.1855,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -13.74
S298 (cal/mol*K) = -3.12
G298 (kcal/mol) = -12.81
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(12), HSi2(52); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 2 Si2H2(12)+H2Si(15)=SiH3(9)+HSi2(52) 7.441e+07 1.617 6.497
362. H2Si(15) + H6Si3(18) ⇔ SiH3(9) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.1263,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -16.00
S298 (cal/mol*K) = 0.31
G298 (kcal/mol) = -16.09
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(18), H5Si3(57); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 H2Si(15)+H6Si3(18)=SiH3(9)+H5Si3(57) 1.488e+08 1.617 6.483
363. H2Si2(24) + HSi(138) ⇔ HSi2(25) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.8-2.6-1.9-1.5
Arrhenius(A=(400000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sid_Si_H2;SiH_quartet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -49.89
S298 (cal/mol*K) = 8.95
G298 (kcal/mol) = -52.55
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); HSi(138), H2Si(15); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sid_Si_H2;SiH_quartet) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+HSi(138)=HSi2(25)+H2Si(15) 4.000e+05 0.000 10.000
364. H5Si3(41) + H2Si(15) ⇔ H4Si3(99) + SiH3(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.1+5.0+5.8+6.2
Arrhenius(A=(37.2059,'m^3/(mol*s)'), n=1.61699, Ea=(27.3275,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet)""")
H298 (kcal/mol) = -8.31
S298 (cal/mol*K) = 4.69
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(99); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet) H5Si3(41)+H2Si(15)=H4Si3(99)+SiH3(9) 3.721e+07 1.617 6.531
365. H5Si3(41) + H2Si(15) ⇔ H4Si3(100) + SiH3(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = -2.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(100); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 H5Si3(41)+H2Si(15)=H4Si3(100)+SiH3(9) 3.349e+08 1.617 6.573
366. H6Si3(27) + HSi(138) ⇔ H5Si3(41) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.8-2.6-1.9-1.5
Arrhenius(A=(400000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sid_Si_H2;SiH_quartet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -49.89
S298 (cal/mol*K) = 7.57
G298 (kcal/mol) = -52.14
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); HSi(138), H2Si(15); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sid_Si_H2;SiH_quartet) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+HSi(138)=H5Si3(41)+H2Si(15) 4.000e+05 0.000 10.000
367. H3Si2(23) + H2Si(15) ⇔ H2Si2(98) + SiH3(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.3275,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -8.31
S298 (cal/mol*K) = 4.69
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H2Si2(98); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+H2Si(15)=H2Si2(98)+SiH3(9) 1.488e+08 1.617 6.531
368. HSi(138) + H4Si2(7) ⇔ H3Si2(23) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.5-2.3-1.6-1.2
Arrhenius(A=(800000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sid_Si_H2;SiH_quartet) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -49.89
S298 (cal/mol*K) = 8.95
G298 (kcal/mol) = -52.55
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); HSi(138), H2Si(15); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sid_Si_H2;SiH_quartet) ! Multiplied by reaction path degeneracy 8 HSi(138)+H4Si2(7)=H3Si2(23)+H2Si(15) 8.000e+05 0.000 10.000
369. H6Si4(37) + H2Si(15) ⇔ SiH3(9) + H5Si4(113) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4311,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -4.35
S298 (cal/mol*K) = 1.96
G298 (kcal/mol) = -4.93
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(113); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 H6Si4(37)+H2Si(15)=SiH3(9)+H5Si4(113) 1.488e+08 1.617 6.556
370. H6Si4(37) + H2Si(15) ⇔ SiH3(9) + H5Si4(114) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = -2.25
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(114); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 H6Si4(37)+H2Si(15)=SiH3(9)+H5Si4(114) 3.349e+08 1.617 6.573
371. H6Si4(37) + H2Si(15) ⇔ SiH3(9) + H5Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.1+5.0+5.8+6.2
Arrhenius(A=(37.2059,'m^3/(mol*s)'), n=1.61699, Ea=(27.3275,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet)""")
H298 (kcal/mol) = -8.31
S298 (cal/mol*K) = 4.69
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(115); H2Si(15), SiH3(9); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet) H6Si4(37)+H2Si(15)=SiH3(9)+H5Si4(115) 3.721e+07 1.617 6.531
372. H7Si4(91) + HSi(138) ⇔ H6Si4(37) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -2.2+2.5+4.0+4.8
Arrhenius(A=(6.4e+06,'m^3/(mol*s)'), n=0.1, Ea=(88.9518,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_quartet)""")
H298 (kcal/mol) = -59.14
S298 (cal/mol*K) = -1.76
G298 (kcal/mol) = -58.62
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); HSi(138), H2Si(15); ! Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_quartet) H7Si4(91)+HSi(138)=H6Si4(37)+H2Si(15) 6.400e+12 0.100 21.260
373. HSi(138) + SiH3(9) ⇔ H2Si(15) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -1.7+2.9+4.5+5.3
Arrhenius(A=(1.92e+07,'m^3/(mol*s)'), n=0.1, Ea=(88.9518,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_quartet) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -41.58
S298 (cal/mol*K) = 2.88
G298 (kcal/mol) = -42.44
! Template reaction: H_Abstraction ! Flux pairs: HSi(138), H2Si(15); SiH3(9), H2Si(15); ! Estimated using template (Xrad_H;Y_1centertrirad) for rate rule (Sirad_H;SiH_quartet) ! Multiplied by reaction path degeneracy 3 HSi(138)+SiH3(9)=H2Si(15)+H2Si(15) 1.920e+13 0.100 21.260
374. H4Si3(100) + SiH3(9) ⇔ H7Si4(91) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -72.98
S298 (cal/mol*K) = -37.94
G298 (kcal/mol) = -61.67
! Template reaction: R_Recombination ! Flux pairs: H4Si3(100), H7Si4(91); SiH3(9), H7Si4(91); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) H4Si3(100)+SiH3(9)=H7Si4(91) 7.206e+12 0.101 -0.195
375. H2Si2(98) + H5Si2(21) ⇔ H7Si4(91) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -63.70
S298 (cal/mol*K) = -45.28
G298 (kcal/mol) = -50.21
! Template reaction: R_Recombination ! Flux pairs: H2Si2(98), H7Si4(91); H5Si2(21), H7Si4(91); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H2Si2(98)+H5Si2(21)=H7Si4(91) 1.441e+13 0.101 -0.195
376. H6Si4(139) + H(13) ⇔ H7Si4(91) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -86.75
S298 (cal/mol*K) = -28.96
G298 (kcal/mol) = -78.12
! Template reaction: R_Recombination ! Flux pairs: H6Si4(139), H7Si4(91); H(13), H7Si4(91); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H6Si4(139)+H(13)=H7Si4(91) 7.206e+12 0.101 -0.195
377. H6Si4(140) + H(13) ⇔ H7Si4(91) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -29.04
G298 (kcal/mol) = -80.79
! Template reaction: R_Recombination ! Flux pairs: H6Si4(140), H7Si4(91); H(13), H7Si4(91); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H6Si4(140)+H(13)=H7Si4(91) 7.206e+12 0.101 -0.195
378. H6Si4(141) + H(13) ⇔ H7Si4(91) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H6Si4(141), H7Si4(91); H(13), H7Si4(91); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H6Si4(141)+H(13)=H7Si4(91) 7.206e+12 0.101 -0.195
379. H5Si4(142) + H2(3) ⇔ H7Si4(91) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.20
S298 (cal/mol*K) = -12.03
G298 (kcal/mol) = -25.61
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H7Si4(91); H5Si4(142), H7Si4(91); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H5Si4(142)+H2(3)=H7Si4(91) 2.400e+13 0.000 -0.500
380. SiH4(1) + H3Si3(101) ⇔ H7Si4(91) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(1.44e+11,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -24.68
S298 (cal/mol*K) = -15.52
G298 (kcal/mol) = -20.06
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H7Si4(91); H3Si3(101), H7Si4(91); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 24 SiH4(1)+H3Si3(101)=H7Si4(91) 1.440e+11 0.000 -9.100
381. H8Si4(29) + SiH3(9) ⇔ SiH4(1) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H8Si4(29), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+SiH3(9)=SiH4(1)+H7Si4(91) 7.792e+02 3.620 -0.129
382. H7Si4(91) + SiH2(2) ⇔ H8Si4(29) + SiH(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.53
S298 (cal/mol*K) = -6.49
G298 (kcal/mol) = -1.60
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+SiH2(2)=H8Si4(29)+SiH(10) 7.792e+02 3.620 -0.129
383. H7Si4(91) + SiH2(2) ⇔ H9Si5(143) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +11.1+8.6+7.7+7.3
Arrhenius(A=(1.14e+12,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -53.89
S298 (cal/mol*K) = -36.23
G298 (kcal/mol) = -43.10
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H9Si5(143); H7Si4(91), H9Si5(143); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H7Si4(91)+SiH2(2)=H9Si5(143) 1.140e+12 0.000 -11.600
384. H7Si4(91) + SiH2(2) ⇔ H9Si5(103) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.34
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = -43.26
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H9Si5(103); H7Si4(91), H9Si5(103); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H7Si4(91)+SiH2(2)=H9Si5(103) 5.580e+14 0.000 -0.454
385. H8Si4(29) + H(13) ⇔ H7Si4(91) + H2(3) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.3+8.5+8.7
Arrhenius(A=(7.95e+08,'cm^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sid_Si_H2;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H8Si4(29), H7Si4(91); ! Exact match found for rate rule (Sid_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H(13)=H7Si4(91)+H2(3) 7.950e+08 1.760 -0.339
386. H7Si4(91) + Si(14) ⇔ H7Si5(95) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.3+9.3+9.3
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(1.41468,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12 Ea raised from -1.9 to 1.4 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.06
S298 (cal/mol*K) = -18.43
G298 (kcal/mol) = 5.43
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H7Si5(95); H7Si4(91), H7Si5(95); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 ! Ea raised from -1.9 to 1.4 kJ/mol to match endothermicity of reaction. H7Si4(91)+Si(14)=H7Si5(95) 2.232e+15 0.000 0.338
387. H7Si4(91) + Si(14) ⇔ H7Si5(94) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.4+9.4+9.5+9.5
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(1.61524,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18 Ea raised from -1.9 to 1.6 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.05
S298 (cal/mol*K) = -33.99
G298 (kcal/mol) = 10.08
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H7Si5(94); H7Si4(91), H7Si5(94); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -1.9 to 1.6 kJ/mol to match endothermicity of reaction. H7Si4(91)+Si(14)=H7Si5(94) 3.348e+15 0.000 0.386
388. H7Si4(91) + H(13) ⇔ H6Si4(139) + H2(3) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -17.46
S298 (cal/mol*K) = 5.35
G298 (kcal/mol) = -19.05
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H7Si4(91), H6Si4(139); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+H(13)=H6Si4(139)+H2(3) 2.514e+08 2.070 0.403
389. H7Si4(91) + H(13) ⇔ H6Si4(140) + H2(3) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 5.43
G298 (kcal/mol) = -16.38
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H7Si4(91), H6Si4(140); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H7Si4(91)+H(13)=H6Si4(140)+H2(3) 1.130e+10 1.820 -1.467
390. H7Si4(91) + H(13) ⇔ H6Si4(141) + H2(3) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.7+7.9+8.1
Arrhenius(A=(198.75,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad)""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H7Si4(91), H6Si4(141); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) H7Si4(91)+H(13)=H6Si4(141)+H2(3) 1.988e+08 1.760 -0.339
391. H7Si4(91) + H(13) ⇔ H8Si4(29) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (H_rad;Si_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H(13), H8Si4(29); H7Si4(91), H8Si4(29); ! Estimated using template (Y_rad;Y_rad) for rate rule (H_rad;Si_rad) H7Si4(91)+H(13)=H8Si4(29) 7.206e+12 0.101 -0.195
392. H8Si4(29) + H2Si(15) ⇔ H7Si4(91) + SiH3(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.3275,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -8.31
S298 (cal/mol*K) = 4.69
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H8Si4(29), H7Si4(91); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H2Si(15)=H7Si4(91)+SiH3(9) 1.488e+08 1.617 6.531
393. H7Si4(91) + SiH3(9) ⇔ SiH4(1) + H6Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = -1.42
G298 (kcal/mol) = -5.26
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H7Si4(91), H6Si4(139); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+SiH3(9)=SiH4(1)+H6Si4(139) 7.792e+02 3.620 -0.129
394. H7Si4(91) + SiH3(9) ⇔ SiH4(1) + H6Si4(140) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -2.58
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H7Si4(91), H6Si4(140); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H7Si4(91)+SiH3(9)=SiH4(1)+H6Si4(140) 2.700e+03 3.580 -1.503
395. H7Si4(91) + SiH3(9) ⇔ SiH4(1) + H6Si4(141) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H7Si4(91), H6Si4(141); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) H7Si4(91)+SiH3(9)=SiH4(1)+H6Si4(141) 1.948e+02 3.620 -0.129
396. H7Si4(91) + SiH3(9) ⇔ S(144) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -68.95
S298 (cal/mol*K) = -42.28
G298 (kcal/mol) = -56.35
! Template reaction: R_Recombination ! Flux pairs: SiH3(9), S(144); H7Si4(91), S(144); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) H7Si4(91)+SiH3(9)=S(144) 7.206e+12 0.101 -0.195
397. H7Si4(91) + SiH3SiH(5) ⇔ H8Si4(29) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 H7Si4(91)+SiH3SiH(5)=H8Si4(29)+H3Si2(16) 1.753e+03 3.620 -0.129
398. H7Si4(91) + SiH3SiH(5) ⇔ S(145) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -53.91
S298 (cal/mol*K) = -40.95
G298 (kcal/mol) = -41.70
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(145); H7Si4(91), S(145); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H7Si4(91)+SiH3SiH(5)=S(145) 7.200e+10 0.000 -9.100
399. H7Si4(91) + SiH3SiH(5) ⇔ S(105) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(105); H7Si4(91), S(105); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H7Si4(91)+SiH3SiH(5)=S(105) 1.080e+11 0.000 -9.100
400. H8Si4(29) + H5Si2(21) ⇔ H7Si4(91) + Si2H6(4) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H8Si4(29), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H5Si2(21)=H7Si4(91)+Si2H6(4) 7.792e+02 3.620 -0.129
401. H7Si4(91) + H4Si2(7) ⇔ H8Si4(29) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 H7Si4(91)+H4Si2(7)=H8Si4(29)+H3Si2(23) 1.558e+03 3.620 -0.129
402. H2Si2(24) + H7Si4(91) ⇔ H8Si4(29) + HSi2(25) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(1.74623e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si2(24)+H7Si4(91)=H8Si4(29)+HSi2(25) 7.792e+02 3.620 0.000
403. H2Si2(24) + H7Si4(91) ⇔ H9Si6(146) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -40.75
S298 (cal/mol*K) = -73.50
G298 (kcal/mol) = -18.85
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H9Si6(146); H7Si4(91), H9Si6(146); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H2Si2(24)+H7Si4(91)=H9Si6(146) 2.232e+15 0.000 -0.454
404. H2Si2(24) + H7Si4(91) ⇔ H9Si6(147) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -50.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H9Si6(147); H7Si4(91), H9Si6(147); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H2Si2(24)+H7Si4(91)=H9Si6(147) 3.348e+15 0.000 -0.454
405. H7Si4(91) + SiH2Si(11) ⇔ H8Si4(29) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(11), HSi2(33); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+SiH2Si(11)=H8Si4(29)+HSi2(33) 7.792e+02 3.620 -0.129
406. H3Si2(23) + H6Si4(139) ⇔ H7Si4(91) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.59
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H6Si4(139), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H3Si2(23)+H6Si4(139)=H7Si4(91)+SiH2Si(11) 3.153e+09 1.172 4.009
407. H3Si2(23) + H6Si4(140) ⇔ H7Si4(91) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H6Si4(140), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H3Si2(23)+H6Si4(140)=H7Si4(91)+SiH2Si(11) 3.153e+09 1.172 4.009
408. H3Si2(23) + H6Si4(141) ⇔ H7Si4(91) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H6Si4(141), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H3Si2(23)+H6Si4(141)=H7Si4(91)+SiH2Si(11) 3.153e+09 1.172 4.009
409. HSi2(25) + H6Si4(139) ⇔ H7Si4(91) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.60
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H6Si4(139), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) HSi2(25)+H6Si4(139)=H7Si4(91)+Si2(34) 3.153e+09 1.172 4.009
410. HSi2(25) + H6Si4(140) ⇔ H7Si4(91) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H6Si4(140), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) HSi2(25)+H6Si4(140)=H7Si4(91)+Si2(34) 3.153e+09 1.172 4.009
411. HSi2(25) + H6Si4(141) ⇔ H7Si4(91) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H6Si4(141), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) HSi2(25)+H6Si4(141)=H7Si4(91)+Si2(34) 3.153e+09 1.172 4.009
412. H7Si4(91) + Si2(34) ⇔ H7Si6(126) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -40.75
S298 (cal/mol*K) = -74.88
G298 (kcal/mol) = -18.44
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H7Si6(126); H7Si4(91), H7Si6(126); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H7Si4(91)+Si2(34)=H7Si6(126) 2.232e+15 0.000 -0.454
413. H7Si4(91) + Si2(34) ⇔ H7Si6(127) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -52.06
G298 (kcal/mol) = -19.48
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H7Si6(127); H7Si4(91), H7Si6(127); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H7Si4(91)+Si2(34)=H7Si6(127) 3.348e+15 0.000 -0.454
414. H8Si4(29) + H3Si3(38) ⇔ H4Si3(35) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(38), H4Si3(35); H8Si4(29), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H3Si3(38)=H4Si3(35)+H7Si4(91) 7.792e+02 3.620 -0.129
415. H4Si3(35) + H7Si4(91) ⇔ H8Si4(29) + H3Si3(39) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(35), H3Si3(39); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H4Si3(35)+H7Si4(91)=H8Si4(29)+H3Si3(39) 1.948e+02 3.620 -0.129
416. H5Si3(41) + H6Si4(139) ⇔ H4Si3(35) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.60
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H6Si4(139), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H5Si3(41)+H6Si4(139)=H4Si3(35)+H7Si4(91) 3.153e+09 1.172 4.009
417. H5Si3(41) + H6Si4(140) ⇔ H4Si3(35) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H6Si4(140), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si3(41)+H6Si4(140)=H4Si3(35)+H7Si4(91) 3.153e+09 1.172 4.009
418. H5Si3(41) + H6Si4(141) ⇔ H4Si3(35) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H6Si4(141), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H5Si3(41)+H6Si4(141)=H4Si3(35)+H7Si4(91) 3.153e+09 1.172 4.009
419. H8Si4(29) + H5Si3(46) ⇔ H6Si3(27) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(46), H6Si3(27); H8Si4(29), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H5Si3(46)=H6Si3(27)+H7Si4(91) 7.792e+02 3.620 -0.129
420. H6Si3(27) + H7Si4(91) ⇔ H8Si4(29) + H5Si3(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H7Si4(91)=H8Si4(29)+H5Si3(41) 7.792e+02 3.620 -0.129
421. H6Si3(27) + H7Si4(91) ⇔ H8Si4(29) + H5Si3(47) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(47); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H6Si3(27)+H7Si4(91)=H8Si4(29)+H5Si3(47) 1.948e+02 3.620 -0.129
422. H7Si4(91) + Si2H2(12) ⇔ H8Si4(29) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.43
S298 (cal/mol*K) = -7.81
G298 (kcal/mol) = -3.10
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(12), HSi2(52); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H7Si4(91)+Si2H2(12)=H8Si4(29)+HSi2(52) 3.896e+02 3.620 -0.129
423. H7Si4(91) + Si2H2(12) ⇔ H9Si6(150) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(144000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -33.77
S298 (cal/mol*K) = -33.57
G298 (kcal/mol) = -23.77
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H9Si6(150); H7Si4(91), H9Si6(150); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 24 H7Si4(91)+Si2H2(12)=H9Si6(150) 1.440e+11 0.000 -9.100
424. H7Si4(91) + Si2H2(12) ⇔ H9Si6(106) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -33.21
S298 (cal/mol*K) = -31.15
G298 (kcal/mol) = -23.93
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H9Si6(106); H7Si4(91), H9Si6(106); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 H7Si4(91)+Si2H2(12)=H9Si6(106) 2.160e+11 0.000 -9.100
425. H8Si4(29) + H5Si3(56) ⇔ H7Si4(91) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H8Si4(29), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H5Si3(56)=H7Si4(91)+H6Si3(18) 7.792e+02 3.620 -0.129
426. H7Si4(91) + H6Si3(18) ⇔ H8Si4(29) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -4.38
G298 (kcal/mol) = -6.39
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(18), H5Si3(57); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+H6Si3(18)=H8Si4(29)+H5Si3(57) 7.792e+02 3.620 -0.129
427. HSi2(25) + H7Si4(91) ⇔ H8Si4(29) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.26
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H7Si4(91), H8Si4(29); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) HSi2(25)+H7Si4(91)=H8Si4(29)+Si2(34) 3.153e+09 1.172 4.009
428. H2Si2(24) + H6Si4(139) ⇔ HSi2(25) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H6Si4(139), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H6Si4(139)=HSi2(25)+H7Si4(91) 7.792e+02 3.620 -0.129
429. H2Si2(24) + H6Si4(140) ⇔ HSi2(25) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H6Si4(140), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H6Si4(140)=HSi2(25)+H7Si4(91) 7.792e+02 3.620 -0.129
430. H2Si2(24) + H6Si4(141) ⇔ HSi2(25) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(9.19681e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H6Si4(141), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si2(24)+H6Si4(141)=HSi2(25)+H7Si4(91) 7.792e+02 3.620 0.000
431. HSi2(25) + H7Si4(91) ⇔ H8Si6(151) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -119.52
S298 (cal/mol*K) = -117.22
G298 (kcal/mol) = -84.59
! Template reaction: R_Recombination ! Flux pairs: HSi2(25), H8Si6(151); H7Si4(91), H8Si6(151); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) HSi2(25)+H7Si4(91)=H8Si6(151) 7.206e+12 0.101 -0.195
432. HSi2(25) + H7Si4(91) ⇔ H8Si6(152) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -40.75
S298 (cal/mol*K) = -74.88
G298 (kcal/mol) = -18.44
! Template reaction: Silylene_Insertion ! Flux pairs: HSi2(25), H8Si6(152); H7Si4(91), H8Si6(152); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 HSi2(25)+H7Si4(91)=H8Si6(152) 2.232e+15 0.000 -0.454
433. HSi2(25) + H7Si4(91) ⇔ H8Si6(153) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -53.43
G298 (kcal/mol) = -19.07
! Template reaction: Silylene_Insertion ! Flux pairs: HSi2(25), H8Si6(153); H7Si4(91), H8Si6(153); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 HSi2(25)+H7Si4(91)=H8Si6(153) 3.348e+15 0.000 -0.454
434. H5Si3(41) + H7Si4(91) ⇔ H8Si4(29) + H4Si3(99) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(99); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H5Si3(41)+H7Si4(91)=H8Si4(29)+H4Si3(99) 1.948e+02 3.620 -0.129
435. H8Si4(29) + H4Si3(100) ⇔ H5Si3(41) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(100), H5Si3(41); H8Si4(29), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H4Si3(100)=H5Si3(41)+H7Si4(91) 7.792e+02 3.620 -0.129
436. H5Si3(41) + H7Si4(91) ⇔ H8Si4(29) + H4Si3(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H7Si4(91), H8Si4(29); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) H5Si3(41)+H7Si4(91)=H8Si4(29)+H4Si3(35) 3.153e+09 1.172 4.009
437. H6Si3(27) + H6Si4(139) ⇔ H5Si3(41) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H6Si4(139), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H6Si4(139)=H5Si3(41)+H7Si4(91) 7.792e+02 3.620 -0.129
438. H6Si3(27) + H6Si4(140) ⇔ H5Si3(41) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H6Si4(140), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H6Si4(140)=H5Si3(41)+H7Si4(91) 7.792e+02 3.620 -0.129
439. H5Si3(41) + H7Si4(91) ⇔ H6Si3(27) + H6Si4(141) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H7Si4(91), H6Si4(141); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H5Si3(41)+H7Si4(91)=H6Si3(27)+H6Si4(141) 1.948e+02 3.620 -0.129
440. H3Si2(23) + H7Si4(91) ⇔ H8Si4(29) + H2Si2(98) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H2Si2(98); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+H7Si4(91)=H8Si4(29)+H2Si2(98) 7.792e+02 3.620 -0.129
441. H3Si2(23) + H7Si4(91) ⇔ H8Si4(29) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.26
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H7Si4(91), H8Si4(29); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) H3Si2(23)+H7Si4(91)=H8Si4(29)+SiH2Si(11) 3.153e+09 1.172 4.009
442. H6Si4(139) + H4Si2(7) ⇔ H3Si2(23) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H6Si4(139), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 8 H6Si4(139)+H4Si2(7)=H3Si2(23)+H7Si4(91) 1.558e+03 3.620 -0.129
443. H6Si4(140) + H4Si2(7) ⇔ H3Si2(23) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H6Si4(140), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H6Si4(140)+H4Si2(7)=H3Si2(23)+H7Si4(91) 1.558e+03 3.620 -0.129
444. H6Si4(141) + H4Si2(7) ⇔ H3Si2(23) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(6.51926e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H6Si4(141), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si4(141)+H4Si2(7)=H3Si2(23)+H7Si4(91) 1.558e+03 3.620 0.000
445. H8Si4(29) + H5Si4(113) ⇔ H6Si4(37) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(113), H6Si4(37); H8Si4(29), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H5Si4(113)=H6Si4(37)+H7Si4(91) 7.792e+02 3.620 -0.129
446. H8Si4(29) + H5Si4(114) ⇔ H6Si4(37) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(114), H6Si4(37); H8Si4(29), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H5Si4(114)=H6Si4(37)+H7Si4(91) 7.792e+02 3.620 -0.129
447. H6Si4(37) + H7Si4(91) ⇔ H8Si4(29) + H5Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(115); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H6Si4(37)+H7Si4(91)=H8Si4(29)+H5Si4(115) 1.948e+02 3.620 -0.129
448. H7Si4(91) + H6Si4(139) ⇔ H6Si4(37) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.59
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H6Si4(139), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si4(91)+H6Si4(139)=H6Si4(37)+H7Si4(91) 3.153e+09 1.172 4.009
449. H7Si4(91) + H6Si4(140) ⇔ H6Si4(37) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H6Si4(140), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si4(91)+H6Si4(140)=H6Si4(37)+H7Si4(91) 3.153e+09 1.172 4.009
450. H7Si4(91) + H6Si4(141) ⇔ H6Si4(37) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H6Si4(141), H7Si4(91); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H7Si4(91)+H6Si4(141)=H6Si4(37)+H7Si4(91) 3.153e+09 1.172 4.009
452. H8Si4(29) + HSi(138) ⇔ H7Si4(91) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.8-2.6-1.9-1.5
Arrhenius(A=(400000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sid_Si_H2;SiH_quartet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -49.89
S298 (cal/mol*K) = 7.57
G298 (kcal/mol) = -52.14
! Template reaction: H_Abstraction ! Flux pairs: HSi(138), H2Si(15); H8Si4(29), H7Si4(91); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sid_Si_H2;SiH_quartet) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+HSi(138)=H7Si4(91)+H2Si(15) 4.000e+05 0.000 10.000
453. H7Si4(91) + H2Si(15) ⇔ H6Si4(139) + SiH3(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4311,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -4.35
S298 (cal/mol*K) = 1.96
G298 (kcal/mol) = -4.93
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H7Si4(91), H6Si4(139); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+H2Si(15)=H6Si4(139)+SiH3(9) 1.488e+08 1.617 6.556
454. H7Si4(91) + H2Si(15) ⇔ H6Si4(140) + SiH3(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = -2.25
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H7Si4(91), H6Si4(140); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 H7Si4(91)+H2Si(15)=H6Si4(140)+SiH3(9) 3.349e+08 1.617 6.573
455. H7Si4(91) + H2Si(15) ⇔ H6Si4(141) + SiH3(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.1+5.0+5.8+6.2
Arrhenius(A=(37.2059,'m^3/(mol*s)'), n=1.61699, Ea=(27.3275,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet)""")
H298 (kcal/mol) = -8.31
S298 (cal/mol*K) = 4.69
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H7Si4(91), H6Si4(141); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet) H7Si4(91)+H2Si(15)=H6Si4(141)+SiH3(9) 3.721e+07 1.617 6.531
456. H8Si4(29) + H6Si4(139) ⇔ H7Si4(91) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(139), H7Si4(91); H8Si4(29), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H6Si4(139)=H7Si4(91)+H7Si4(91) 7.792e+02 3.620 -0.129
457. H8Si4(29) + H6Si4(140) ⇔ H7Si4(91) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(140), H7Si4(91); H8Si4(29), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H6Si4(140)=H7Si4(91)+H7Si4(91) 7.792e+02 3.620 -0.129
458. H7Si4(91) + H7Si4(91) ⇔ H8Si4(29) + H6Si4(141) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(141); H7Si4(91), H8Si4(29); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H7Si4(91)+H7Si4(91)=H8Si4(29)+H6Si4(141) 1.948e+02 3.620 -0.129
459. H7Si4(91) + H7Si4(91) ⇔ H8Si4(29) + H6Si4(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H7Si4(91), H8Si4(29); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad_Si_H) H7Si4(91)+H7Si4(91)=H8Si4(29)+H6Si4(37) 3.153e+09 1.172 4.009
460. H(13) + H4Si2(155) ⇔ H5Si2(21) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -27.66
G298 (kcal/mol) = -81.20
! Template reaction: R_Recombination ! Flux pairs: H4Si2(155), H5Si2(21); H(13), H5Si2(21); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) ! Multiplied by reaction path degeneracy 2 H(13)+H4Si2(155)=H5Si2(21) 1.441e+13 0.101 -0.195
462. SiH2(2) + H5Si2(21) ⇔ Si2H6(4) + SiH(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -5.22
G298 (kcal/mol) = -8.64
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); H5Si2(21), Si2H6(4); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H5Si2(21)=Si2H6(4)+SiH(10) 7.792e+02 3.620 -0.129
465. H(13) + H5Si2(21) ⇔ H2(3) + H4Si2(155) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 4.05
G298 (kcal/mol) = -15.97
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H5Si2(21), H4Si2(155); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H(13)+H5Si2(21)=H2(3)+H4Si2(155) 1.130e+10 1.820 -1.467
466. H2(3) + H4Si2(157) ⇔ H(13) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -1.5+3.3+5.1+6.1
Arrhenius(A=(252000,'cm^3/(mol*s)'), n=2.64, Ea=(77.2609,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Matched reaction 1012 SiHSiH3 + H2 <=> SiH2SiH3-1 + H in H_Abstraction/training Ea raised from 74.1 to 77.3 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 18.11
S298 (cal/mol*K) = -4.78
G298 (kcal/mol) = 19.54
! Template reaction: H_Abstraction ! Flux pairs: H2(3), H(13); H4Si2(157), H5Si2(21); ! Matched reaction 1012 SiHSiH3 + H2 <=> SiH2SiH3-1 + H in H_Abstraction/training ! Ea raised from 74.1 to 77.3 kJ/mol to match endothermicity of reaction. H2(3)+H4Si2(157)=H(13)+H5Si2(21) 2.520e+05 2.640 18.466
467. SiH3(9) + H5Si2(21) ⇔ SiH4(1) + H4Si2(155) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -2.72
G298 (kcal/mol) = -2.17
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H5Si2(21), H4Si2(155); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 SiH3(9)+H5Si2(21)=SiH4(1)+H4Si2(155) 2.700e+03 3.580 -1.503
468. SiH3(9) + H5Si2(21) ⇔ SiH4(1) + H4Si2(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -5.74
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H5Si2(21), H4Si2(157); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 2 SiH3(9)+H5Si2(21)=SiH4(1)+H4Si2(157) 6.305e+09 1.172 4.009
469. SiH3(9) + H5Si2(21) ⇔ Si3H8(6) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -69.39
S298 (cal/mol*K) = -42.95
G298 (kcal/mol) = -56.59
! Template reaction: R_Recombination ! Flux pairs: SiH3(9), Si3H8(6); H5Si2(21), Si3H8(6); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) SiH3(9)+H5Si2(21)=Si3H8(6) 7.206e+12 0.101 -0.195
471. SiH3SiH(5) + H5Si2(21) ⇔ H9Si4(158) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -49.04
S298 (cal/mol*K) = -42.41
G298 (kcal/mol) = -36.40
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H9Si4(158); H5Si2(21), H9Si4(158); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 SiH3SiH(5)+H5Si2(21)=H9Si4(158) 1.080e+11 0.000 -9.100
472. H2Si2(24) + H5Si2(21) ⇔ H7Si4(159) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -30.68
S298 (cal/mol*K) = -54.55
G298 (kcal/mol) = -14.43
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H7Si4(159); H5Si2(21), H7Si4(159); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H2Si2(24)+H5Si2(21)=H7Si4(159) 3.348e+15 0.000 -0.454
473. SiH2Si(11) + H5Si2(21) ⇔ Si2H6(4) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(11), HSi2(33); H5Si2(21), Si2H6(4); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2Si(11)+H5Si2(21)=Si2H6(4)+HSi2(33) 7.792e+02 3.620 -0.129
474. H3Si2(23) + H4Si2(155) ⇔ SiH2Si(11) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -5.30
G298 (kcal/mol) = -14.34
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H4Si2(155), H5Si2(21); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H3Si2(23)+H4Si2(155)=SiH2Si(11)+H5Si2(21) 6.305e+09 1.172 4.009
475. H3Si2(23) + H4Si2(157) ⇔ SiH2Si(11) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H4Si2(157), H5Si2(21); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) H3Si2(23)+H4Si2(157)=SiH2Si(11)+H5Si2(21) 4.806e+10 0.750 -0.445
476. HSi2(25) + H4Si2(155) ⇔ H5Si2(21) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -5.30
G298 (kcal/mol) = -14.34
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H4Si2(155), H5Si2(21); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 HSi2(25)+H4Si2(155)=H5Si2(21)+Si2(34) 6.305e+09 1.172 4.009
477. HSi2(25) + H4Si2(157) ⇔ H5Si2(21) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H4Si2(157), H5Si2(21); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) HSi2(25)+H4Si2(157)=H5Si2(21)+Si2(34) 4.806e+10 0.750 -0.445
478. H5Si2(21) + Si2(34) ⇔ H5Si4(114) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -30.68
S298 (cal/mol*K) = -55.93
G298 (kcal/mol) = -14.02
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H5Si4(114); H5Si2(21), H5Si4(114); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si2(21)+Si2(34)=H5Si4(114) 3.348e+15 0.000 -0.454
479. H3Si3(38) + Si2H6(4) ⇔ H4Si3(35) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(38), H4Si3(35); Si2H6(4), H5Si2(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H3Si3(38)+Si2H6(4)=H4Si3(35)+H5Si2(21) 3.507e+03 3.620 -0.129
480. H4Si3(35) + H5Si2(21) ⇔ H3Si3(39) + Si2H6(4) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(35), H3Si3(39); H5Si2(21), Si2H6(4); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H4Si3(35)+H5Si2(21)=H3Si3(39)+Si2H6(4) 1.948e+02 3.620 -0.129
481. H5Si3(41) + H4Si2(155) ⇔ H4Si3(35) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -5.30
G298 (kcal/mol) = -14.34
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H4Si2(155), H5Si2(21); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si3(41)+H4Si2(155)=H4Si3(35)+H5Si2(21) 6.305e+09 1.172 4.009
482. H5Si3(41) + H4Si2(157) ⇔ H4Si3(35) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H4Si2(157), H5Si2(21); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) H5Si3(41)+H4Si2(157)=H4Si3(35)+H5Si2(21) 4.806e+10 0.750 -0.445
483. Si2H6(4) + H5Si3(46) ⇔ H6Si3(27) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(46), H6Si3(27); Si2H6(4), H5Si2(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H5Si3(46)=H6Si3(27)+H5Si2(21) 3.507e+03 3.620 -0.129
484. H6Si3(27) + H5Si2(21) ⇔ Si2H6(4) + H5Si3(47) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(47); H5Si2(21), Si2H6(4); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si3(27)+H5Si2(21)=Si2H6(4)+H5Si3(47) 1.948e+02 3.620 -0.129
485. Si2H2(12) + H5Si2(21) ⇔ Si2H6(4) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -12.09
S298 (cal/mol*K) = -6.54
G298 (kcal/mol) = -10.14
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(12), HSi2(52); H5Si2(21), Si2H6(4); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H2(12)+H5Si2(21)=Si2H6(4)+HSi2(52) 3.896e+02 3.620 -0.129
488. H5Si2(21) + H6Si3(18) ⇔ Si2H6(4) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -3.10
G298 (kcal/mol) = -13.43
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(18), H5Si3(57); H5Si2(21), Si2H6(4); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(21)+H6Si3(18)=Si2H6(4)+H5Si3(57) 7.792e+02 3.620 -0.129
489. H5Si2(21) + H6Si3(18) ⇔ S(162) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.38
S298 (cal/mol*K) = -35.91
G298 (kcal/mol) = -42.68
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(18), S(162); H5Si2(21), S(162); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si2(21)+H6Si3(18)=S(162) 1.080e+11 0.000 -9.100
490. H2Si2(24) + H4Si2(155) ⇔ HSi2(25) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 5.41
G298 (kcal/mol) = -8.27
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H4Si2(155), H5Si2(21); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H2Si2(24)+H4Si2(155)=HSi2(25)+H5Si2(21) 1.558e+03 3.620 -0.129
491. H2Si2(24) + H4Si2(157) ⇔ HSi2(25) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 4.68
G298 (kcal/mol) = -4.70
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H4Si2(157), H5Si2(21); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H4Si2(157)=HSi2(25)+H5Si2(21) 1.488e+08 1.617 6.563
492. HSi2(25) + H5Si2(21) ⇔ H6Si4(32) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -66.11
S298 (cal/mol*K) = -43.38
G298 (kcal/mol) = -53.18
! Template reaction: R_Recombination ! Flux pairs: HSi2(25), H6Si4(32); H5Si2(21), H6Si4(32); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) HSi2(25)+H5Si2(21)=H6Si4(32) 7.206e+12 0.101 -0.195
493. HSi2(25) + H5Si2(21) ⇔ H6Si4(140) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -30.68
S298 (cal/mol*K) = -55.93
G298 (kcal/mol) = -14.02
! Template reaction: Silylene_Insertion ! Flux pairs: HSi2(25), H6Si4(140); H5Si2(21), H6Si4(140); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 HSi2(25)+H5Si2(21)=H6Si4(140) 3.348e+15 0.000 -0.454
494. H5Si3(41) + H5Si2(21) ⇔ H4Si3(99) + Si2H6(4) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(99); H5Si2(21), Si2H6(4); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si3(41)+H5Si2(21)=H4Si3(99)+Si2H6(4) 1.948e+02 3.620 -0.129
495. H4Si3(100) + Si2H6(4) ⇔ H5Si3(41) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(100), H5Si3(41); Si2H6(4), H5Si2(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H4Si3(100)+Si2H6(4)=H5Si3(41)+H5Si2(21) 3.507e+03 3.620 -0.129
496. H6Si3(27) + H4Si2(155) ⇔ H5Si3(41) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H4Si2(155), H5Si2(21); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H6Si3(27)+H4Si2(155)=H5Si3(41)+H5Si2(21) 1.558e+03 3.620 -0.129
497. H6Si3(27) + H4Si2(157) ⇔ H5Si3(41) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 3.30
G298 (kcal/mol) = -4.29
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H4Si2(157), H5Si2(21); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H4Si2(157)=H5Si3(41)+H5Si2(21) 1.488e+08 1.617 6.563
498. H5Si3(41) + H5Si2(21) ⇔ S(144) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -66.11
S298 (cal/mol*K) = -43.38
G298 (kcal/mol) = -53.18
! Template reaction: R_Recombination ! Flux pairs: H5Si3(41), S(144); H5Si2(21), S(144); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si3(41)+H5Si2(21)=S(144) 7.206e+12 0.101 -0.195
499. H3Si2(23) + H5Si2(21) ⇔ H2Si2(98) + Si2H6(4) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H2Si2(98); H5Si2(21), Si2H6(4); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+H5Si2(21)=H2Si2(98)+Si2H6(4) 7.792e+02 3.620 -0.129
500. H4Si2(7) + H4Si2(155) ⇔ H3Si2(23) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 5.41
G298 (kcal/mol) = -8.27
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H4Si2(155), H5Si2(21); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 16 H4Si2(7)+H4Si2(155)=H3Si2(23)+H5Si2(21) 3.117e+03 3.620 -0.129
501. H4Si2(7) + H4Si2(157) ⇔ H3Si2(23) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(297.647,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 4.68
G298 (kcal/mol) = -4.70
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H4Si2(157), H5Si2(21); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H4Si2(157)=H3Si2(23)+H5Si2(21) 2.976e+08 1.617 6.563
502. H6Si4(37) + H5Si2(21) ⇔ Si2H6(4) + H5Si4(113) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(113); H5Si2(21), Si2H6(4); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si4(37)+H5Si2(21)=Si2H6(4)+H5Si4(113) 7.792e+02 3.620 -0.129
503. Si2H6(4) + H5Si4(114) ⇔ H6Si4(37) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(114), H6Si4(37); Si2H6(4), H5Si2(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H5Si4(114)=H6Si4(37)+H5Si2(21) 3.507e+03 3.620 -0.129
504. H6Si4(37) + H5Si2(21) ⇔ Si2H6(4) + H5Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(115); H5Si2(21), Si2H6(4); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si4(37)+H5Si2(21)=Si2H6(4)+H5Si4(115) 1.948e+02 3.620 -0.129
505. H7Si4(91) + H4Si2(155) ⇔ H6Si4(37) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -5.30
G298 (kcal/mol) = -14.34
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H4Si2(155), H5Si2(21); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H7Si4(91)+H4Si2(155)=H6Si4(37)+H5Si2(21) 6.305e+09 1.172 4.009
506. H7Si4(91) + H4Si2(157) ⇔ H6Si4(37) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H4Si2(157), H5Si2(21); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) H7Si4(91)+H4Si2(157)=H6Si4(37)+H5Si2(21) 4.806e+10 0.750 -0.445
507. H4Si4(36) + H5Si2(21) ⇔ H9Si6(164) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -52.77
S298 (cal/mol*K) = -54.59
G298 (kcal/mol) = -36.51
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si4(36), H9Si6(164); H5Si2(21), H9Si6(164); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H4Si4(36)+H5Si2(21)=H9Si6(164) 1.080e+11 0.000 -9.100
508. HSi(138) + Si2H6(4) ⇔ H5Si2(21) + H2Si(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.1-1.9-1.2-0.8
Arrhenius(A=(1.8e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_quartet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -43.23
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = -45.10
! Template reaction: H_Abstraction ! Flux pairs: HSi(138), H2Si(15); Si2H6(4), H5Si2(21); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_quartet) ! Multiplied by reaction path degeneracy 18 HSi(138)+Si2H6(4)=H5Si2(21)+H2Si(15) 1.800e+06 0.000 10.000
509. H5Si2(21) + H2Si(15) ⇔ SiH3(9) + H4Si2(155) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 0.66
G298 (kcal/mol) = -1.84
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H5Si2(21), H4Si2(155); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 H5Si2(21)+H2Si(15)=SiH3(9)+H4Si2(155) 3.349e+08 1.617 6.573
510. H5Si2(21) + H2Si(15) ⇔ SiH3(9) + H4Si2(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.3+7.4+7.5
Arrhenius(A=(96124.9,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_Si_H2;Si_triplet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.00
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = -5.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H5Si2(21), H4Si2(157); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_Si_H2;Si_triplet) ! Multiplied by reaction path degeneracy 2 H5Si2(21)+H2Si(15)=SiH3(9)+H4Si2(157) 9.612e+10 0.750 -0.445
511. H7Si4(91) + H5Si2(21) ⇔ H6Si4(139) + Si2H6(4) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(139); H5Si2(21), Si2H6(4); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+H5Si2(21)=H6Si4(139)+Si2H6(4) 7.792e+02 3.620 -0.129
512. H6Si4(140) + Si2H6(4) ⇔ H7Si4(91) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(140), H7Si4(91); Si2H6(4), H5Si2(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H6Si4(140)+Si2H6(4)=H7Si4(91)+H5Si2(21) 3.507e+03 3.620 -0.129
513. H7Si4(91) + H5Si2(21) ⇔ H6Si4(141) + Si2H6(4) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(141); H5Si2(21), Si2H6(4); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H7Si4(91)+H5Si2(21)=H6Si4(141)+Si2H6(4) 1.948e+02 3.620 -0.129
514. H8Si4(29) + H4Si2(155) ⇔ H7Si4(91) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(29), H7Si4(91); H4Si2(155), H5Si2(21); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H8Si4(29)+H4Si2(155)=H7Si4(91)+H5Si2(21) 1.558e+03 3.620 -0.129
515. H8Si4(29) + H4Si2(157) ⇔ H7Si4(91) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 3.30
G298 (kcal/mol) = -4.29
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(29), H7Si4(91); H4Si2(157), H5Si2(21); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H4Si2(157)=H7Si4(91)+H5Si2(21) 1.488e+08 1.617 6.563
516. H7Si4(91) + H5Si2(21) ⇔ S(165) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -66.11
S298 (cal/mol*K) = -44.75
G298 (kcal/mol) = -52.77
! Template reaction: R_Recombination ! Flux pairs: H7Si4(91), S(165); H5Si2(21), S(165); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H7Si4(91)+H5Si2(21)=S(165) 7.206e+12 0.101 -0.195
517. Si2H6(4) + H4Si2(155) ⇔ H5Si2(21) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+8.7+9.4+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(155), H5Si2(21); Si2H6(4), H5Si2(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 Si2H6(4)+H4Si2(155)=H5Si2(21)+H5Si2(21) 7.013e+03 3.620 -0.129
518. H5Si2(21) + H5Si2(21) ⇔ Si2H6(4) + H4Si2(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), H4Si2(157); H5Si2(21), Si2H6(4); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(21)+H5Si2(21)=Si2H6(4)+H4Si2(157) 6.305e+09 1.172 4.009
519. H5Si2(21) + H5Si2(21) ⇔ H10Si4(22) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -67.27
S298 (cal/mol*K) = -43.81
G298 (kcal/mol) = -54.22
! Template reaction: R_Recombination ! Flux pairs: H5Si2(21), H10Si4(22); H5Si2(21), H10Si4(22); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(21)+H5Si2(21)=H10Si4(22) 7.206e+12 0.101 -0.195
520. SiH(10) + H4Si2(155) ⇔ H5Si3(56) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -57.03
S298 (cal/mol*K) = -35.12
G298 (kcal/mol) = -46.56
! Template reaction: R_Recombination ! Flux pairs: SiH(10), H5Si3(56); H4Si2(155), H5Si3(56); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 SiH(10)+H4Si2(155)=H5Si3(56) 1.441e+13 0.101 -0.195
521. H(13) + H4Si3(166) ⇔ H5Si3(56) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -75.09
S298 (cal/mol*K) = -27.31
G298 (kcal/mol) = -66.95
! Template reaction: R_Recombination ! Flux pairs: H4Si3(166), H5Si3(56); H(13), H5Si3(56); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H4Si3(166)=H5Si3(56) 7.206e+12 0.101 -0.195
522. H(13) + H4Si3(167) ⇔ H5Si3(56) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (H_rad;Si_rad)""")
H298 (kcal/mol) = -75.52
S298 (cal/mol*K) = -21.58
G298 (kcal/mol) = -69.09
! Template reaction: R_Recombination ! Flux pairs: H(13), H5Si3(56); H4Si3(167), H5Si3(56); ! Estimated using template (Y_rad;Y_rad) for rate rule (H_rad;Si_rad) H(13)+H4Si3(167)=H5Si3(56) 7.206e+12 0.101 -0.195
523. H2(3) + H3Si3(168) ⇔ H5Si3(56) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -41.59
S298 (cal/mol*K) = -65.82
G298 (kcal/mol) = -21.97
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H5Si3(56); H3Si3(168), H5Si3(56); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H3Si3(168)=H5Si3(56) 2.400e+13 0.000 -0.500
524. SiH4(1) + H5Si3(56) ⇔ H9Si4(158) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(1.44e+11,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -52.52
S298 (cal/mol*K) = -33.71
G298 (kcal/mol) = -42.48
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H9Si4(158); H5Si3(56), H9Si4(158); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 24 SiH4(1)+H5Si3(56)=H9Si4(158) 1.440e+11 0.000 -9.100
525. SiH2(2) + H5Si3(56) ⇔ SiH(10) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = -9.05
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H5Si3(56)=SiH(10)+H6Si3(18) 7.792e+02 3.620 -0.129
526. SiH2(2) + H5Si3(56) ⇔ H7Si4(169) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +11.1+8.6+7.7+7.3
Arrhenius(A=(1.14e+12,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -57.56
S298 (cal/mol*K) = -36.60
G298 (kcal/mol) = -46.65
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H7Si4(169); H5Si3(56), H7Si4(169); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 12 SiH2(2)+H5Si3(56)=H7Si4(169) 1.140e+12 0.000 -11.600
527. Si(14) + H5Si3(56) ⇔ H5Si4(170) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+9.3+9.3+9.3
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(0.861184,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12 Ea raised from -1.9 to 0.9 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = 0.00
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H5Si4(170); H5Si3(56), H5Si4(170); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 ! Ea raised from -1.9 to 0.9 kJ/mol to match endothermicity of reaction. Si(14)+H5Si3(56)=H5Si4(170) 2.232e+15 0.000 0.206
528. H(13) + H5Si3(56) ⇔ H2(3) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -29.11
S298 (cal/mol*K) = 3.71
G298 (kcal/mol) = -30.22
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H5Si3(56), H4Si3(166); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 H(13)+H5Si3(56)=H2(3)+H4Si3(166) 2.514e+08 2.070 0.403
529. H(13) + H5Si3(56) ⇔ H2(3) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.9+8.3+8.6
Arrhenius(A=(62.8406,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad)""")
H298 (kcal/mol) = -28.68
S298 (cal/mol*K) = -2.02
G298 (kcal/mol) = -28.08
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H5Si3(56), H4Si3(167); ! Estimated using an average for rate rule (Sis_H;H_rad) H(13)+H5Si3(56)=H2(3)+H4Si3(167) 6.284e+07 2.070 0.403
530. H(13) + H5Si3(56) ⇔ H2(3) + H4Si3(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.0+8.2+8.5+8.6
Arrhenius(A=(8.49e+08,'cm^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sirad_Si_H2;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -18.11
S298 (cal/mol*K) = 4.78
G298 (kcal/mol) = -19.54
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H5Si3(56), H4Si3(171); ! Exact match found for rate rule (Sirad_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 2 H(13)+H5Si3(56)=H2(3)+H4Si3(171) 8.490e+08 1.690 -1.056
531. SiH3(9) + H5Si3(56) ⇔ SiH4(1) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -17.33
S298 (cal/mol*K) = -3.06
G298 (kcal/mol) = -16.42
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H5Si3(56), H4Si3(166); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(9)+H5Si3(56)=SiH4(1)+H4Si3(166) 7.792e+02 3.620 -0.129
532. SiH3(9) + H5Si3(56) ⇔ SiH4(1) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl)""")
H298 (kcal/mol) = -16.90
S298 (cal/mol*K) = -8.79
G298 (kcal/mol) = -14.28
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H5Si3(56), H4Si3(167); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) SiH3(9)+H5Si3(56)=SiH4(1)+H4Si3(167) 1.948e+02 3.620 -0.129
533. SiH3(9) + H5Si3(56) ⇔ SiH4(1) + H4Si3(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -5.74
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H5Si3(56), H4Si3(171); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 2 SiH3(9)+H5Si3(56)=SiH4(1)+H4Si3(171) 6.305e+09 1.172 4.009
534. SiH3(9) + H5Si3(56) ⇔ H8Si4(20) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -73.70
S298 (cal/mol*K) = -37.70
G298 (kcal/mol) = -62.46
! Template reaction: R_Recombination ! Flux pairs: SiH3(9), H8Si4(20); H5Si3(56), H8Si4(20); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) SiH3(9)+H5Si3(56)=H8Si4(20) 7.206e+12 0.101 -0.195
536. SiH3SiH(5) + H5Si3(56) ⇔ H9Si5(172) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -57.57
S298 (cal/mol*K) = -41.32
G298 (kcal/mol) = -45.25
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H9Si5(172); H5Si3(56), H9Si5(172); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 SiH3SiH(5)+H5Si3(56)=H9Si5(172) 7.200e+10 0.000 -9.100
537. SiH3SiH(5) + H5Si3(56) ⇔ H9Si5(163) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H9Si5(163); H5Si3(56), H9Si5(163); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 SiH3SiH(5)+H5Si3(56)=H9Si5(163) 1.080e+11 0.000 -9.100
538. Si2H6(4) + H5Si3(56) ⇔ S(162) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -53.38
S298 (cal/mol*K) = -34.53
G298 (kcal/mol) = -43.09
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), S(162); H5Si3(56), S(162); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 Si2H6(4)+H5Si3(56)=S(162) 2.160e+11 0.000 -9.100
539. H2Si2(24) + H5Si3(56) ⇔ H7Si5(173) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.00
S298 (cal/mol*K) = -35.12
G298 (kcal/mol) = -24.53
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H7Si5(173); H5Si3(56), H7Si5(173); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H2Si2(24)+H5Si3(56)=H7Si5(173) 2.232e+15 0.000 -0.454
540. SiH2Si(11) + H5Si3(56) ⇔ H6Si3(18) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(11), HSi2(33); H5Si3(56), H6Si3(18); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2Si(11)+H5Si3(56)=H6Si3(18)+HSi2(33) 7.792e+02 3.620 -0.129
541. H3Si2(23) + H4Si3(166) ⇔ SiH2Si(11) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H4Si3(166), H5Si3(56); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H3Si2(23)+H4Si3(166)=SiH2Si(11)+H5Si3(56) 3.153e+09 1.172 4.009
542. H3Si2(23) + H4Si3(167) ⇔ SiH2Si(11) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H4Si3(167), H5Si3(56); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H3Si2(23)+H4Si3(167)=SiH2Si(11)+H5Si3(56) 3.153e+09 1.172 4.009
543. H3Si2(23) + H4Si3(171) ⇔ SiH2Si(11) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H4Si3(171), H5Si3(56); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) H3Si2(23)+H4Si3(171)=SiH2Si(11)+H5Si3(56) 4.806e+10 0.750 -0.445
544. HSi2(25) + H4Si3(166) ⇔ Si2(34) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H4Si3(166), H5Si3(56); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) HSi2(25)+H4Si3(166)=Si2(34)+H5Si3(56) 3.153e+09 1.172 4.009
545. HSi2(25) + H4Si3(167) ⇔ Si2(34) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H4Si3(167), H5Si3(56); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) HSi2(25)+H4Si3(167)=Si2(34)+H5Si3(56) 3.153e+09 1.172 4.009
546. HSi2(25) + H4Si3(171) ⇔ Si2(34) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H4Si3(171), H5Si3(56); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) HSi2(25)+H4Si3(171)=Si2(34)+H5Si3(56) 4.806e+10 0.750 -0.445
547. Si2(34) + H5Si3(56) ⇔ H5Si5(175) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.00
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = -24.12
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H5Si5(175); H5Si3(56), H5Si5(175); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 Si2(34)+H5Si3(56)=H5Si5(175) 2.232e+15 0.000 -0.454
548. H4Si3(35) + H5Si3(56) ⇔ H3Si3(38) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(35), H3Si3(38); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H4Si3(35)+H5Si3(56)=H3Si3(38)+H6Si3(18) 1.753e+03 3.620 -0.129
549. H4Si3(35) + H5Si3(56) ⇔ H3Si3(39) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(35), H3Si3(39); H5Si3(56), H6Si3(18); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H4Si3(35)+H5Si3(56)=H3Si3(39)+H6Si3(18) 1.948e+02 3.620 -0.129
550. H5Si3(41) + H4Si3(166) ⇔ H4Si3(35) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H4Si3(166), H5Si3(56); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H5Si3(41)+H4Si3(166)=H4Si3(35)+H5Si3(56) 3.153e+09 1.172 4.009
551. H5Si3(41) + H4Si3(167) ⇔ H4Si3(35) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H4Si3(167), H5Si3(56); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H5Si3(41)+H4Si3(167)=H4Si3(35)+H5Si3(56) 3.153e+09 1.172 4.009
552. H5Si3(41) + H4Si3(171) ⇔ H4Si3(35) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H4Si3(171), H5Si3(56); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) H5Si3(41)+H4Si3(171)=H4Si3(35)+H5Si3(56) 4.806e+10 0.750 -0.445
553. H4Si3(35) + H5Si3(56) ⇔ H9Si6(164) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -56.97
S298 (cal/mol*K) = -32.28
G298 (kcal/mol) = -47.35
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si3(35), H9Si6(164); H5Si3(56), H9Si6(164); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H4Si3(35)+H5Si3(56)=H9Si6(164) 1.080e+11 0.000 -9.100
554. H6Si3(27) + H5Si3(56) ⇔ H6Si3(18) + H5Si3(46) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(46); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H6Si3(27)+H5Si3(56)=H6Si3(18)+H5Si3(46) 1.753e+03 3.620 -0.129
555. H6Si3(27) + H5Si3(56) ⇔ H6Si3(18) + H5Si3(47) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(47); H5Si3(56), H6Si3(18); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si3(27)+H5Si3(56)=H6Si3(18)+H5Si3(47) 1.948e+02 3.620 -0.129
556. H6Si3(27) + H5Si3(56) ⇔ S(176) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -56.97
S298 (cal/mol*K) = -32.28
G298 (kcal/mol) = -47.35
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(27), S(176); H5Si3(56), S(176); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si3(27)+H5Si3(56)=S(176) 1.080e+11 0.000 -9.100
557. Si2H2(12) + H5Si3(56) ⇔ H6Si3(18) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -12.09
S298 (cal/mol*K) = -5.16
G298 (kcal/mol) = -10.55
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(12), HSi2(52); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H2(12)+H5Si3(56)=H6Si3(18)+HSi2(52) 3.896e+02 3.620 -0.129
558. Si2H2(12) + H5Si3(56) ⇔ H7Si5(177) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(144000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -37.43
S298 (cal/mol*K) = -33.94
G298 (kcal/mol) = -27.32
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H7Si5(177); H5Si3(56), H7Si5(177); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 24 Si2H2(12)+H5Si3(56)=H7Si5(177) 1.440e+11 0.000 -9.100
559. H6Si3(18) + H5Si3(56) ⇔ H6Si3(18) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -1.73
G298 (kcal/mol) = -13.84
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(18), H5Si3(57); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(18)+H5Si3(56)=H6Si3(18)+H5Si3(57) 7.792e+02 3.620 -0.129
560. H6Si3(18) + H5Si3(56) ⇔ H6Si3(18) + H5Si3(58) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -7.45
G298 (kcal/mol) = -11.70
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(18), H5Si3(58); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H6Si3(18)+H5Si3(56)=H6Si3(18)+H5Si3(58) 1.948e+02 3.620 -0.129
561. H6Si3(18) + H5Si3(56) ⇔ S(178) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -61.91
S298 (cal/mol*K) = -34.82
G298 (kcal/mol) = -51.53
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(18), S(178); H5Si3(56), S(178); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si3(18)+H5Si3(56)=S(178) 7.200e+10 0.000 -9.100
562. H6Si3(18) + H5Si3(56) ⇔ S(179) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -57.69
S298 (cal/mol*K) = -32.04
G298 (kcal/mol) = -48.14
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(18), S(179); H5Si3(56), S(179); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si3(18)+H5Si3(56)=S(179) 1.080e+11 0.000 -9.100
563. H6Si3(18) + H5Si3(56) ⇔ S(180) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -61.91
S298 (cal/mol*K) = -34.82
G298 (kcal/mol) = -51.53
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(18), S(180); H5Si3(56), S(180); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si3(18)+H5Si3(56)=S(180) 7.200e+10 0.000 -9.100
564. HSi2(25) + H5Si3(56) ⇔ H2Si2(24) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -5.76
G298 (kcal/mol) = -5.98
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), H2Si2(24); H5Si3(56), H4Si3(166); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 HSi2(25)+H5Si3(56)=H2Si2(24)+H4Si3(166) 7.792e+02 3.620 -0.129
565. HSi2(25) + H5Si3(56) ⇔ H2Si2(24) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -11.48
G298 (kcal/mol) = -3.84
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), H2Si2(24); H5Si3(56), H4Si3(167); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) HSi2(25)+H5Si3(56)=H2Si2(24)+H4Si3(167) 1.948e+02 3.620 -0.129
566. H2Si2(24) + H4Si3(171) ⇔ HSi2(25) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 4.68
G298 (kcal/mol) = -4.70
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H4Si3(171), H5Si3(56); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H4Si3(171)=HSi2(25)+H5Si3(56) 1.488e+08 1.617 6.563
567. HSi2(25) + H5Si3(56) ⇔ H6Si5(66) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -70.41
S298 (cal/mol*K) = -39.51
G298 (kcal/mol) = -58.64
! Template reaction: R_Recombination ! Flux pairs: HSi2(25), H6Si5(66); H5Si3(56), H6Si5(66); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) HSi2(25)+H5Si3(56)=H6Si5(66) 7.206e+12 0.101 -0.195
568. HSi2(25) + H5Si3(56) ⇔ H6Si5(183) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.00
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = -24.12
! Template reaction: Silylene_Insertion ! Flux pairs: HSi2(25), H6Si5(183); H5Si3(56), H6Si5(183); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 HSi2(25)+H5Si3(56)=H6Si5(183) 2.232e+15 0.000 -0.454
569. H5Si3(41) + H5Si3(56) ⇔ H4Si3(99) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(99); H5Si3(56), H6Si3(18); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si3(41)+H5Si3(56)=H4Si3(99)+H6Si3(18) 1.948e+02 3.620 -0.129
570. H5Si3(41) + H5Si3(56) ⇔ H4Si3(100) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(1.97906e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(100); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(41)+H5Si3(56)=H4Si3(100)+H6Si3(18) 1.753e+03 3.620 0.000
571. H5Si3(41) + H5Si3(56) ⇔ H6Si3(27) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -4.38
G298 (kcal/mol) = -6.39
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H5Si3(56), H4Si3(166); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H5Si3(41)+H5Si3(56)=H6Si3(27)+H4Si3(166) 7.792e+02 3.620 -0.129
572. H5Si3(41) + H5Si3(56) ⇔ H6Si3(27) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -10.11
G298 (kcal/mol) = -4.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H5Si3(56), H4Si3(167); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H5Si3(41)+H5Si3(56)=H6Si3(27)+H4Si3(167) 1.948e+02 3.620 -0.129
573. H6Si3(27) + H4Si3(171) ⇔ H5Si3(41) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 3.30
G298 (kcal/mol) = -4.29
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H4Si3(171), H5Si3(56); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H4Si3(171)=H5Si3(41)+H5Si3(56) 1.488e+08 1.617 6.563
574. H5Si3(41) + H5Si3(56) ⇔ S(184) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -70.41
S298 (cal/mol*K) = -39.51
G298 (kcal/mol) = -58.64
! Template reaction: R_Recombination ! Flux pairs: H5Si3(41), S(184); H5Si3(56), S(184); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si3(41)+H5Si3(56)=S(184) 7.206e+12 0.101 -0.195
575. H5Si3(41) + H5Si3(56) ⇔ S(185) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -56.97
S298 (cal/mol*K) = -32.28
G298 (kcal/mol) = -47.35
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si3(41), S(185); H5Si3(56), S(185); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si3(41)+H5Si3(56)=S(185) 1.080e+11 0.000 -9.100
576. H3Si2(23) + H5Si3(56) ⇔ H2Si2(98) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H2Si2(98); H5Si3(56), H6Si3(18); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+H5Si3(56)=H2Si2(98)+H6Si3(18) 7.792e+02 3.620 -0.129
577. H3Si2(23) + H5Si3(56) ⇔ H4Si2(7) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -5.76
G298 (kcal/mol) = -5.98
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H4Si2(7); H5Si3(56), H4Si3(166); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+H5Si3(56)=H4Si2(7)+H4Si3(166) 7.792e+02 3.620 -0.129
578. H3Si2(23) + H5Si3(56) ⇔ H4Si2(7) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -11.48
G298 (kcal/mol) = -3.84
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H4Si2(7); H5Si3(56), H4Si3(167); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H3Si2(23)+H5Si3(56)=H4Si2(7)+H4Si3(167) 1.948e+02 3.620 -0.129
579. H4Si2(7) + H4Si3(171) ⇔ H3Si2(23) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(297.647,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 4.68
G298 (kcal/mol) = -4.70
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H4Si3(171), H5Si3(56); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H4Si3(171)=H3Si2(23)+H5Si3(56) 2.976e+08 1.617 6.563
580. H6Si4(37) + H5Si3(56) ⇔ H6Si3(18) + H5Si4(113) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(113); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si4(37)+H5Si3(56)=H6Si3(18)+H5Si4(113) 7.792e+02 3.620 -0.129
581. H6Si4(37) + H5Si3(56) ⇔ H6Si3(18) + H5Si4(114) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(114); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H6Si4(37)+H5Si3(56)=H6Si3(18)+H5Si4(114) 1.753e+03 3.620 -0.129
582. H6Si4(37) + H5Si3(56) ⇔ H6Si3(18) + H5Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(115); H5Si3(56), H6Si3(18); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si4(37)+H5Si3(56)=H6Si3(18)+H5Si4(115) 1.948e+02 3.620 -0.129
583. H7Si4(91) + H4Si3(166) ⇔ H6Si4(37) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H4Si3(166), H5Si3(56); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si4(91)+H4Si3(166)=H6Si4(37)+H5Si3(56) 3.153e+09 1.172 4.009
584. H7Si4(91) + H4Si3(167) ⇔ H6Si4(37) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H4Si3(167), H5Si3(56); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si4(91)+H4Si3(167)=H6Si4(37)+H5Si3(56) 3.153e+09 1.172 4.009
585. H7Si4(91) + H4Si3(171) ⇔ H6Si4(37) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H4Si3(171), H5Si3(56); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) H7Si4(91)+H4Si3(171)=H6Si4(37)+H5Si3(56) 4.806e+10 0.750 -0.445
586. HSi(138) + H6Si3(18) ⇔ H2Si(15) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.4-2.2-1.5-1.1
Arrhenius(A=(900000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_quartet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -43.23
S298 (cal/mol*K) = 4.92
G298 (kcal/mol) = -44.69
! Template reaction: H_Abstraction ! Flux pairs: HSi(138), H2Si(15); H6Si3(18), H5Si3(56); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_quartet) ! Multiplied by reaction path degeneracy 9 HSi(138)+H6Si3(18)=H2Si(15)+H5Si3(56) 9.000e+05 0.000 10.000
587. H2Si(15) + H5Si3(56) ⇔ SiH3(9) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.1263,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -16.00
S298 (cal/mol*K) = 0.31
G298 (kcal/mol) = -16.09
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H5Si3(56), H4Si3(166); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 H2Si(15)+H5Si3(56)=SiH3(9)+H4Si3(166) 1.488e+08 1.617 6.483
588. H2Si(15) + H5Si3(56) ⇔ SiH3(9) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.1+5.0+5.8+6.2
Arrhenius(A=(37.2059,'m^3/(mol*s)'), n=1.61699, Ea=(27.1376,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet)""")
H298 (kcal/mol) = -15.57
S298 (cal/mol*K) = -5.42
G298 (kcal/mol) = -13.96
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H5Si3(56), H4Si3(167); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) H2Si(15)+H5Si3(56)=SiH3(9)+H4Si3(167) 3.721e+07 1.617 6.486
589. H2Si(15) + H5Si3(56) ⇔ SiH3(9) + H4Si3(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.3+7.4+7.5
Arrhenius(A=(96124.9,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_Si_H2;Si_triplet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.00
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = -5.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H5Si3(56), H4Si3(171); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_Si_H2;Si_triplet) ! Multiplied by reaction path degeneracy 2 H2Si(15)+H5Si3(56)=SiH3(9)+H4Si3(171) 9.612e+10 0.750 -0.445
590. H7Si4(91) + H5Si3(56) ⇔ H6Si4(139) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(139); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+H5Si3(56)=H6Si4(139)+H6Si3(18) 7.792e+02 3.620 -0.129
591. H7Si4(91) + H5Si3(56) ⇔ H6Si4(140) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(140); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H7Si4(91)+H5Si3(56)=H6Si4(140)+H6Si3(18) 1.753e+03 3.620 -0.129
592. H7Si4(91) + H5Si3(56) ⇔ H6Si4(141) + H6Si3(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(141); H5Si3(56), H6Si3(18); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H7Si4(91)+H5Si3(56)=H6Si4(141)+H6Si3(18) 1.948e+02 3.620 -0.129
593. H7Si4(91) + H5Si3(56) ⇔ H8Si4(29) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -4.38
G298 (kcal/mol) = -6.39
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(29); H5Si3(56), H4Si3(166); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+H5Si3(56)=H8Si4(29)+H4Si3(166) 7.792e+02 3.620 -0.129
594. H7Si4(91) + H5Si3(56) ⇔ H8Si4(29) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -10.11
G298 (kcal/mol) = -4.25
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(29); H5Si3(56), H4Si3(167); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H7Si4(91)+H5Si3(56)=H8Si4(29)+H4Si3(167) 1.948e+02 3.620 -0.129
595. H8Si4(29) + H4Si3(171) ⇔ H7Si4(91) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 3.30
G298 (kcal/mol) = -4.29
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(29), H7Si4(91); H4Si3(171), H5Si3(56); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H4Si3(171)=H7Si4(91)+H5Si3(56) 1.488e+08 1.617 6.563
596. H6Si3(18) + H4Si2(155) ⇔ H5Si2(21) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(155), H5Si2(21); H6Si3(18), H5Si3(56); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si3(18)+H4Si2(155)=H5Si2(21)+H5Si3(56) 3.507e+03 3.620 0.001
597. H5Si2(21) + H5Si3(56) ⇔ H6Si3(18) + H4Si2(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), H4Si2(157); H5Si3(56), H6Si3(18); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(21)+H5Si3(56)=H6Si3(18)+H4Si2(157) 6.305e+09 1.172 4.009
598. H5Si2(21) + H5Si3(56) ⇔ Si2H6(4) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -3.10
G298 (kcal/mol) = -13.43
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H5Si3(56), H4Si3(166); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(21)+H5Si3(56)=Si2H6(4)+H4Si3(166) 7.792e+02 3.620 -0.129
599. H5Si2(21) + H5Si3(56) ⇔ Si2H6(4) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -8.83
G298 (kcal/mol) = -11.29
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H5Si3(56), H4Si3(167); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H5Si2(21)+H5Si3(56)=Si2H6(4)+H4Si3(167) 1.948e+02 3.620 -0.129
600. H5Si2(21) + H5Si3(56) ⇔ Si2H6(4) + H4Si3(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H5Si3(56), H4Si3(171); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(21)+H5Si3(56)=Si2H6(4)+H4Si3(171) 6.305e+09 1.172 4.009
601. H5Si2(21) + H5Si3(56) ⇔ H10Si5(62) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -71.58
S298 (cal/mol*K) = -38.56
G298 (kcal/mol) = -60.09
! Template reaction: R_Recombination ! Flux pairs: H5Si2(21), H10Si5(62); H5Si3(56), H10Si5(62); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(21)+H5Si3(56)=H10Si5(62) 7.206e+12 0.101 -0.195
602. H5Si2(21) + H5Si3(56) ⇔ S(186) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.38
S298 (cal/mol*K) = -37.28
G298 (kcal/mol) = -42.27
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si2(21), S(186); H5Si3(56), S(186); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si2(21)+H5Si3(56)=S(186) 1.080e+11 0.000 -9.100
603. H5Si3(56) + H5Si3(56) ⇔ H6Si3(18) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -1.73
G298 (kcal/mol) = -13.84
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H4Si3(166); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si3(56)+H5Si3(56)=H6Si3(18)+H4Si3(166) 7.792e+02 3.620 -0.129
604. H5Si3(56) + H5Si3(56) ⇔ H6Si3(18) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -7.45
G298 (kcal/mol) = -11.70
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H4Si3(167); H5Si3(56), H6Si3(18); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H5Si3(56)+H5Si3(56)=H6Si3(18)+H4Si3(167) 1.948e+02 3.620 -0.129
605. H5Si3(56) + H5Si3(56) ⇔ H6Si3(18) + H4Si3(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H4Si3(171); H5Si3(56), H6Si3(18); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si3(56)+H5Si3(56)=H6Si3(18)+H4Si3(171) 6.305e+09 1.172 4.009
606. H5Si3(56) + H5Si3(56) ⇔ H10Si6(87) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -75.88
S298 (cal/mol*K) = -36.07
G298 (kcal/mol) = -65.14
! Template reaction: R_Recombination ! Flux pairs: H5Si3(56), H10Si6(87); H5Si3(56), H10Si6(87); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si3(56)+H5Si3(56)=H10Si6(87) 7.206e+12 0.101 -0.195
607. H5Si3(56) + H5Si3(56) ⇔ S(187) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -61.91
S298 (cal/mol*K) = -34.82
G298 (kcal/mol) = -51.53
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si3(56), S(187); H5Si3(56), S(187); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H5Si3(56)+H5Si3(56)=S(187) 7.200e+10 0.000 -9.100
609. SiH3SiH(5) + SiH(10) ⇔ SiH2(2) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.1-1.9-1.2-0.8
Arrhenius(A=(1.8e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_doublet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -4.16
S298 (cal/mol*K) = 2.92
G298 (kcal/mol) = -5.03
! Template reaction: H_Abstraction ! Flux pairs: SiH(10), SiH2(2); SiH3SiH(5), H3Si2(16); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_doublet) ! Multiplied by reaction path degeneracy 18 SiH3SiH(5)+SiH(10)=SiH2(2)+H3Si2(16) 1.800e+06 0.000 10.000
610. SiH3SiH(5) + H3Si2(17) ⇔ SiH3SiH(5) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.43
S298 (cal/mol*K) = 6.53
G298 (kcal/mol) = -2.38
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(17), SiH3SiH(5); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H3Si2(17)=SiH3SiH(5)+H3Si2(16) 1.753e+03 3.620 -0.129
611. Si2H6(4) + H3Si2(16) ⇔ H9Si4(158) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -34.69
S298 (cal/mol*K) = -40.11
G298 (kcal/mol) = -22.74
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H9Si4(158); H3Si2(16), H9Si4(158); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 Si2H6(4)+H3Si2(16)=H9Si4(158) 2.160e+11 0.000 -9.100
612. SiH3SiH(5) + HSi2(33) ⇔ SiH2Si(11) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -6.22
! Template reaction: H_Abstraction ! Flux pairs: HSi2(33), SiH2Si(11); SiH3SiH(5), H3Si2(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+HSi2(33)=SiH2Si(11)+H3Si2(16) 1.753e+03 3.620 -0.129
613. H3Si3(38) + SiH3SiH(5) ⇔ H4Si3(35) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -0.92
G298 (kcal/mol) = -14.08
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(38), H4Si3(35); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H3Si3(38)+SiH3SiH(5)=H4Si3(35)+H3Si2(16) 1.753e+03 3.620 -0.129
614. H3Si3(39) + SiH3SiH(5) ⇔ H4Si3(35) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(39), H4Si3(35); SiH3SiH(5), H3Si2(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H3Si3(39)+SiH3SiH(5)=H4Si3(35)+H3Si2(16) 1.753e+03 3.620 -0.129
615. H4Si3(35) + H3Si2(16) ⇔ H7Si5(190) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -38.28
S298 (cal/mol*K) = -37.86
G298 (kcal/mol) = -26.99
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si3(35), H7Si5(190); H3Si2(16), H7Si5(190); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H4Si3(35)+H3Si2(16)=H7Si5(190) 1.080e+11 0.000 -9.100
616. SiH3SiH(5) + H5Si3(46) ⇔ H6Si3(27) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -0.92
G298 (kcal/mol) = -14.08
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(46), H6Si3(27); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si3(46)=H6Si3(27)+H3Si2(16) 1.753e+03 3.620 -0.129
617. SiH3SiH(5) + H5Si3(47) ⇔ H6Si3(27) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(47), H6Si3(27); SiH3SiH(5), H3Si2(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si3(47)=H6Si3(27)+H3Si2(16) 1.753e+03 3.620 -0.129
618. H6Si3(27) + H3Si2(16) ⇔ H9Si5(191) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -38.28
S298 (cal/mol*K) = -37.86
G298 (kcal/mol) = -26.99
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(27), H9Si5(191); H3Si2(16), H9Si5(191); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H6Si3(27)+H3Si2(16)=H9Si5(191) 1.080e+11 0.000 -9.100
619. SiH3SiH(5) + HSi2(52) ⇔ Si2H2(12) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.26
S298 (cal/mol*K) = 4.24
G298 (kcal/mol) = -3.53
! Template reaction: H_Abstraction ! Flux pairs: HSi2(52), Si2H2(12); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+HSi2(52)=Si2H2(12)+H3Si2(16) 1.753e+03 3.620 -0.129
620. SiH3SiH(5) + H5Si3(57) ⇔ H6Si3(18) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(57), H6Si3(18); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si3(57)=H6Si3(18)+H3Si2(16) 1.753e+03 3.620 -0.129
621. H6Si3(18) + H3Si2(16) ⇔ H9Si5(192) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -43.22
S298 (cal/mol*K) = -40.40
G298 (kcal/mol) = -31.18
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(18), H9Si5(192); H3Si2(16), H9Si5(192); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si3(18)+H3Si2(16)=H9Si5(192) 7.200e+10 0.000 -9.100
622. H4Si3(99) + SiH3SiH(5) ⇔ H5Si3(41) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(99), H5Si3(41); SiH3SiH(5), H3Si2(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H4Si3(99)+SiH3SiH(5)=H5Si3(41)+H3Si2(16) 1.753e+03 3.620 -0.129
623. H4Si3(100) + SiH3SiH(5) ⇔ H5Si3(41) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -0.92
G298 (kcal/mol) = -14.08
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(100), H5Si3(41); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H4Si3(100)+SiH3SiH(5)=H5Si3(41)+H3Si2(16) 1.753e+03 3.620 -0.129
624. H5Si3(41) + H3Si2(16) ⇔ H8Si5(195) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -38.28
S298 (cal/mol*K) = -37.86
G298 (kcal/mol) = -26.99
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si3(41), H8Si5(195); H3Si2(16), H8Si5(195); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si3(41)+H3Si2(16)=H8Si5(195) 1.080e+11 0.000 -9.100
625. H2Si2(98) + SiH3SiH(5) ⇔ H3Si2(23) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(98), H3Si2(23); SiH3SiH(5), H3Si2(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 18 H2Si2(98)+SiH3SiH(5)=H3Si2(23)+H3Si2(16) 3.507e+03 3.620 -0.129
626. SiH3SiH(5) + H5Si4(113) ⇔ H6Si4(37) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.65
S298 (cal/mol*K) = -0.84
G298 (kcal/mol) = -11.40
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(113), H6Si4(37); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si4(113)=H6Si4(37)+H3Si2(16) 1.753e+03 3.620 -0.129
627. SiH3SiH(5) + H5Si4(114) ⇔ H6Si4(37) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -0.92
G298 (kcal/mol) = -14.08
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(114), H6Si4(37); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si4(114)=H6Si4(37)+H3Si2(16) 1.753e+03 3.620 -0.129
628. SiH3SiH(5) + H5Si4(115) ⇔ H6Si4(37) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(115), H6Si4(37); SiH3SiH(5), H3Si2(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si4(115)=H6Si4(37)+H3Si2(16) 1.753e+03 3.620 -0.129
629. H6Si4(37) + H3Si2(16) ⇔ H9Si6(196) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -39.56
S298 (cal/mol*K) = -40.03
G298 (kcal/mol) = -27.63
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si4(37), H9Si6(196); H3Si2(16), H9Si6(196); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H6Si4(37)+H3Si2(16)=H9Si6(196) 7.200e+10 0.000 -9.100
630. HSi(138) + SiH3SiH(5) ⇔ H2Si(15) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.4-2.2-1.5-1.1
Arrhenius(A=(900000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_quartet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -57.58
S298 (cal/mol*K) = 4.00
G298 (kcal/mol) = -58.77
! Template reaction: H_Abstraction ! Flux pairs: HSi(138), H2Si(15); SiH3SiH(5), H3Si2(16); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_quartet) ! Multiplied by reaction path degeneracy 9 HSi(138)+SiH3SiH(5)=H2Si(15)+H3Si2(16) 9.000e+05 0.000 10.000
631. H6Si4(139) + SiH3SiH(5) ⇔ H7Si4(91) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.65
S298 (cal/mol*K) = -0.84
G298 (kcal/mol) = -11.40
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(139), H7Si4(91); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(139)+SiH3SiH(5)=H7Si4(91)+H3Si2(16) 1.753e+03 3.620 -0.129
632. H6Si4(140) + SiH3SiH(5) ⇔ H7Si4(91) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -0.92
G298 (kcal/mol) = -14.08
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(140), H7Si4(91); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H6Si4(140)+SiH3SiH(5)=H7Si4(91)+H3Si2(16) 1.753e+03 3.620 -0.129
633. H6Si4(141) + SiH3SiH(5) ⇔ H7Si4(91) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(141), H7Si4(91); SiH3SiH(5), H3Si2(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(141)+SiH3SiH(5)=H7Si4(91)+H3Si2(16) 1.753e+03 3.620 -0.129
634. H7Si4(91) + H3Si2(16) ⇔ S(199) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -39.56
S298 (cal/mol*K) = -40.03
G298 (kcal/mol) = -27.63
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si4(91), S(199); H3Si2(16), S(199); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H7Si4(91)+H3Si2(16)=S(199) 7.200e+10 0.000 -9.100
635. H7Si4(91) + H3Si2(16) ⇔ S(185) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -37.62
G298 (kcal/mol) = -27.79
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si4(91), S(185); H3Si2(16), S(185); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H7Si4(91)+H3Si2(16)=S(185) 1.080e+11 0.000 -9.100
636. SiH3SiH(5) + H4Si2(155) ⇔ H5Si2(21) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = 0.46
G298 (kcal/mol) = -14.49
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(155), H5Si2(21); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 SiH3SiH(5)+H4Si2(155)=H5Si2(21)+H3Si2(16) 3.507e+03 3.620 -0.129
637. SiH3SiH(5) + H4Si2(157) ⇔ H5Si2(21) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.257,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -10.92
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(157), H5Si2(21); SiH3SiH(5), H3Si2(16); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H4Si2(157)=H5Si2(21)+H3Si2(16) 3.349e+08 1.617 6.515
638. H5Si2(21) + H3Si2(16) ⇔ H8Si4(200) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.69
S298 (cal/mol*K) = -42.87
G298 (kcal/mol) = -21.92
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si2(21), H8Si4(200); H3Si2(16), H8Si4(200); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si2(21)+H3Si2(16)=H8Si4(200) 1.080e+11 0.000 -9.100
639. SiH3SiH(5) + H4Si3(166) ⇔ H3Si2(16) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(166), H5Si3(56); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H4Si3(166)=H3Si2(16)+H5Si3(56) 1.753e+03 3.620 -0.129
640. SiH3SiH(5) + H4Si3(167) ⇔ H3Si2(16) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.43
S298 (cal/mol*K) = 6.53
G298 (kcal/mol) = -2.38
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(167), H5Si3(56); SiH3SiH(5), H3Si2(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H4Si3(167)=H3Si2(16)+H5Si3(56) 1.753e+03 3.620 -0.129
641. SiH3SiH(5) + H4Si3(171) ⇔ H3Si2(16) + H5Si3(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.257,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -10.92
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(171), H5Si3(56); SiH3SiH(5), H3Si2(16); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H4Si3(171)=H3Si2(16)+H5Si3(56) 3.349e+08 1.617 6.515
642. H3Si2(16) + H5Si3(56) ⇔ H8Si5(201) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -43.22
S298 (cal/mol*K) = -40.40
G298 (kcal/mol) = -31.18
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si3(56), H8Si5(201); H3Si2(16), H8Si5(201); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H3Si2(16)+H5Si3(56)=H8Si5(201) 7.200e+10 0.000 -9.100
643. SiH3(9) + H4Si2(155) ⇔ H7Si3(156) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -69.39
S298 (cal/mol*K) = -40.19
G298 (kcal/mol) = -57.41
! Template reaction: R_Recombination ! Flux pairs: H4Si2(155), H7Si3(156); SiH3(9), H7Si3(156); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) ! Multiplied by reaction path degeneracy 2 SiH3(9)+H4Si2(155)=H7Si3(156) 1.441e+13 0.101 -0.195
644. Si3H8(6) + SiH3(9) ⇔ SiH4(1) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+8.8+9.3+9.7
Arrhenius(A=(5400,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = 0.04
G298 (kcal/mol) = -2.99
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); Si3H8(6), H7Si3(156); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 18 Si3H8(6)+SiH3(9)=SiH4(1)+H7Si3(156) 5.400e+03 3.580 -1.503
645. SiH2(2) + H7Si3(156) ⇔ Si3H8(6) + SiH(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -5.22
G298 (kcal/mol) = -8.64
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); H7Si3(156), Si3H8(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H7Si3(156)=Si3H8(6)+SiH(10) 7.792e+02 3.620 -0.129
646. SiH2(2) + H7Si3(156) ⇔ H9Si4(158) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.34
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = -43.26
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H9Si4(158); H7Si3(156), H9Si4(158); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 18 SiH2(2)+H7Si3(156)=H9Si4(158) 5.580e+14 0.000 -0.454
647. Si3H8(6) + H(13) ⇔ H2(3) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.9+10.1+10.3+10.5
Arrhenius(A=(2.259e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 6.81
G298 (kcal/mol) = -16.79
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); Si3H8(6), H7Si3(156); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 18 Si3H8(6)+H(13)=H2(3)+H7Si3(156) 2.259e+10 1.820 -1.467
649. H(13) + H7Si3(156) ⇔ Si3H8(6) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (H_rad;Si_rad)""")
H298 (kcal/mol) = -89.45
S298 (cal/mol*K) = -30.41
G298 (kcal/mol) = -80.38
! Template reaction: R_Recombination ! Flux pairs: H(13), Si3H8(6); H7Si3(156), Si3H8(6); ! Estimated using template (Y_rad;Y_rad) for rate rule (H_rad;Si_rad) H(13)+H7Si3(156)=Si3H8(6) 7.206e+12 0.101 -0.195
650. Si3H8(6) + H2Si(15) ⇔ SiH3(9) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.3+6.2+7.0+7.4
Arrhenius(A=(669.706,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 3.41
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); Si3H8(6), H7Si3(156); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 18 Si3H8(6)+H2Si(15)=SiH3(9)+H7Si3(156) 6.697e+08 1.617 6.573
651. SiH3SiH(5) + H7Si3(156) ⇔ Si3H8(6) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -2.30
G298 (kcal/mol) = -13.67
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H7Si3(156), Si3H8(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H7Si3(156)=Si3H8(6)+H3Si2(16) 1.753e+03 3.620 -0.129
652. Si2H6(4) + H7Si3(156) ⇔ Si3H8(6) + H5Si2(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), H5Si2(21); H7Si3(156), Si3H8(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H7Si3(156)=Si3H8(6)+H5Si2(21) 3.507e+03 3.620 -0.129
653. H4Si2(7) + H7Si3(156) ⇔ H3Si2(23) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H7Si3(156), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H7Si3(156)=H3Si2(23)+Si3H8(6) 1.558e+03 3.620 -0.129
654. H2Si2(24) + H7Si3(156) ⇔ HSi2(25) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H7Si3(156), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H7Si3(156)=HSi2(25)+Si3H8(6) 7.792e+02 3.620 -0.129
655. H2Si2(24) + H7Si3(156) ⇔ H9Si5(191) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -50.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H9Si5(191); H7Si3(156), H9Si5(191); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H2Si2(24)+H7Si3(156)=H9Si5(191) 3.348e+15 0.000 -0.454
656. SiH2Si(11) + H7Si3(156) ⇔ Si3H8(6) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(11), HSi2(33); H7Si3(156), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2Si(11)+H7Si3(156)=Si3H8(6)+HSi2(33) 7.792e+02 3.620 -0.129
657. Si2(34) + H7Si3(156) ⇔ H7Si5(190) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -52.06
G298 (kcal/mol) = -19.48
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H7Si5(190); H7Si3(156), H7Si5(190); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 Si2(34)+H7Si3(156)=H7Si5(190) 3.348e+15 0.000 -0.454
658. H3Si3(38) + Si3H8(6) ⇔ H4Si3(35) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(38), H4Si3(35); Si3H8(6), H7Si3(156); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H3Si3(38)+Si3H8(6)=H4Si3(35)+H7Si3(156) 3.507e+03 3.620 -0.129
659. H4Si3(35) + H7Si3(156) ⇔ H3Si3(39) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(35), H3Si3(39); H7Si3(156), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H4Si3(35)+H7Si3(156)=H3Si3(39)+Si3H8(6) 1.948e+02 3.620 -0.129
660. Si3H8(6) + H5Si3(46) ⇔ H6Si3(27) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(46), H6Si3(27); Si3H8(6), H7Si3(156); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si3H8(6)+H5Si3(46)=H6Si3(27)+H7Si3(156) 3.507e+03 3.620 -0.129
661. H6Si3(27) + H7Si3(156) ⇔ H5Si3(41) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H7Si3(156), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H7Si3(156)=H5Si3(41)+Si3H8(6) 7.792e+02 3.620 -0.129
662. H6Si3(27) + H7Si3(156) ⇔ Si3H8(6) + H5Si3(47) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(47); H7Si3(156), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si3(27)+H7Si3(156)=Si3H8(6)+H5Si3(47) 1.948e+02 3.620 -0.129
663. Si2H2(12) + H7Si3(156) ⇔ Si3H8(6) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -12.09
S298 (cal/mol*K) = -6.54
G298 (kcal/mol) = -10.14
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(12), HSi2(52); H7Si3(156), Si3H8(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H2(12)+H7Si3(156)=Si3H8(6)+HSi2(52) 3.896e+02 3.620 -0.129
664. Si2H2(12) + H7Si3(156) ⇔ H9Si5(163) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -33.21
S298 (cal/mol*K) = -31.15
G298 (kcal/mol) = -23.93
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H9Si5(163); H7Si3(156), H9Si5(163); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 Si2H2(12)+H7Si3(156)=H9Si5(163) 2.160e+11 0.000 -9.100
665. Si3H8(6) + H5Si3(56) ⇔ H6Si3(18) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); Si3H8(6), H7Si3(156); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si3H8(6)+H5Si3(56)=H6Si3(18)+H7Si3(156) 3.507e+03 3.620 -0.129
666. H6Si3(18) + H7Si3(156) ⇔ Si3H8(6) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -3.10
G298 (kcal/mol) = -13.43
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(18), H5Si3(57); H7Si3(156), Si3H8(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(18)+H7Si3(156)=Si3H8(6)+H5Si3(57) 7.792e+02 3.620 -0.129
667. HSi2(25) + H7Si3(156) ⇔ Si3H8(6) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -8.05
G298 (kcal/mol) = -13.52
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H7Si3(156), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) HSi2(25)+H7Si3(156)=Si3H8(6)+Si2(34) 3.153e+09 1.172 4.009
668. HSi2(25) + H7Si3(156) ⇔ H8Si5(195) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.7+9.6+9.6+9.6
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -52.06
G298 (kcal/mol) = -19.48
! Template reaction: Silylene_Insertion ! Flux pairs: HSi2(25), H8Si5(195); H7Si3(156), H8Si5(195); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 HSi2(25)+H7Si3(156)=H8Si5(195) 3.348e+15 0.000 -0.454
669. H5Si3(41) + H7Si3(156) ⇔ H4Si3(99) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(99); H7Si3(156), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si3(41)+H7Si3(156)=H4Si3(99)+Si3H8(6) 1.948e+02 3.620 -0.129
670. H4Si3(100) + Si3H8(6) ⇔ H5Si3(41) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(100), H5Si3(41); Si3H8(6), H7Si3(156); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H4Si3(100)+Si3H8(6)=H5Si3(41)+H7Si3(156) 3.507e+03 3.620 -0.129
671. H5Si3(41) + H7Si3(156) ⇔ H4Si3(35) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -8.05
G298 (kcal/mol) = -13.52
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H7Si3(156), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si3(41)+H7Si3(156)=H4Si3(35)+Si3H8(6) 3.153e+09 1.172 4.009
672. H3Si2(23) + H7Si3(156) ⇔ H2Si2(98) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H2Si2(98); H7Si3(156), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+H7Si3(156)=H2Si2(98)+Si3H8(6) 7.792e+02 3.620 -0.129
673. H3Si2(23) + H7Si3(156) ⇔ Si3H8(6) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -8.05
G298 (kcal/mol) = -13.52
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H7Si3(156), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H3Si2(23)+H7Si3(156)=Si3H8(6)+SiH2Si(11) 3.153e+09 1.172 4.009
674. H6Si4(37) + H7Si3(156) ⇔ Si3H8(6) + H5Si4(113) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(113); H7Si3(156), Si3H8(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si4(37)+H7Si3(156)=Si3H8(6)+H5Si4(113) 7.792e+02 3.620 -0.129
675. Si3H8(6) + H5Si4(114) ⇔ H6Si4(37) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(114), H6Si4(37); Si3H8(6), H7Si3(156); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. Si3H8(6)+H5Si4(114)=H6Si4(37)+H7Si3(156) 3.507e+03 3.620 0.000
676. H6Si4(37) + H7Si3(156) ⇔ Si3H8(6) + H5Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(115); H7Si3(156), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si4(37)+H7Si3(156)=Si3H8(6)+H5Si4(115) 1.948e+02 3.620 -0.129
677. HSi(138) + Si3H8(6) ⇔ H2Si(15) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.1-1.9-1.2-0.8
Arrhenius(A=(1.8e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_quartet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -43.23
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = -45.10
! Template reaction: H_Abstraction ! Flux pairs: HSi(138), H2Si(15); Si3H8(6), H7Si3(156); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_quartet) ! Multiplied by reaction path degeneracy 18 HSi(138)+Si3H8(6)=H2Si(15)+H7Si3(156) 1.800e+06 0.000 10.000
678. H7Si4(91) + H7Si3(156) ⇔ H6Si4(139) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(139); H7Si3(156), Si3H8(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+H7Si3(156)=H6Si4(139)+Si3H8(6) 7.792e+02 3.620 -0.129
679. H6Si4(140) + Si3H8(6) ⇔ H7Si4(91) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(140), H7Si4(91); Si3H8(6), H7Si3(156); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H6Si4(140)+Si3H8(6)=H7Si4(91)+H7Si3(156) 3.507e+03 3.620 -0.129
680. H7Si4(91) + H7Si3(156) ⇔ H6Si4(141) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(141); H7Si3(156), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H7Si4(91)+H7Si3(156)=H6Si4(141)+Si3H8(6) 1.948e+02 3.620 -0.129
681. H7Si4(91) + H7Si3(156) ⇔ H6Si4(37) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.92
S298 (cal/mol*K) = -8.05
G298 (kcal/mol) = -13.52
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H7Si3(156), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si4(91)+H7Si3(156)=H6Si4(37)+Si3H8(6) 3.153e+09 1.172 4.009
682. Si3H8(6) + H4Si2(155) ⇔ H5Si2(21) + H7Si3(156) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+8.7+9.3+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(155), H5Si2(21); Si3H8(6), H7Si3(156); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. Si3H8(6)+H4Si2(155)=H5Si2(21)+H7Si3(156) 7.013e+03 3.620 0.001
683. H5Si2(21) + H7Si3(156) ⇔ Si3H8(6) + H4Si2(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), H4Si2(157); H7Si3(156), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(21)+H7Si3(156)=Si3H8(6)+H4Si2(157) 6.305e+09 1.172 4.009
684. H5Si3(56) + H7Si3(156) ⇔ Si3H8(6) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -3.10
G298 (kcal/mol) = -13.43
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H4Si3(166); H7Si3(156), Si3H8(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si3(56)+H7Si3(156)=Si3H8(6)+H4Si3(166) 7.792e+02 3.620 -0.129
685. H5Si3(56) + H7Si3(156) ⇔ Si3H8(6) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -8.83
G298 (kcal/mol) = -11.29
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H4Si3(167); H7Si3(156), Si3H8(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H5Si3(56)+H7Si3(156)=Si3H8(6)+H4Si3(167) 1.948e+02 3.620 -0.129
686. H5Si3(56) + H7Si3(156) ⇔ Si3H8(6) + H4Si3(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H4Si3(171); H7Si3(156), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si3(56)+H7Si3(156)=Si3H8(6)+H4Si3(171) 6.305e+09 1.172 4.009
687. H5Si3(56) + H7Si3(156) ⇔ S(219) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -57.69
S298 (cal/mol*K) = -33.41
G298 (kcal/mol) = -47.73
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si3(56), S(219); H7Si3(156), S(219); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si3(56)+H7Si3(156)=S(219) 1.080e+11 0.000 -9.100
688. H3Si2(16) + H4Si2(155) ⇔ H7Si4(161) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -52.88
S298 (cal/mol*K) = -42.76
G298 (kcal/mol) = -40.14
! Template reaction: R_Recombination ! Flux pairs: H3Si2(16), H7Si4(161); H4Si2(155), H7Si4(161); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H3Si2(16)+H4Si2(155)=H7Si4(161) 1.441e+13 0.101 -0.195
689. SiH(10) + H6Si3(202) ⇔ H7Si4(161) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -61.34
S298 (cal/mol*K) = -31.25
G298 (kcal/mol) = -52.02
! Template reaction: R_Recombination ! Flux pairs: SiH(10), H7Si4(161); H6Si3(202), H7Si4(161); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 SiH(10)+H6Si3(202)=H7Si4(161) 1.441e+13 0.101 -0.195
690. H(13) + H6Si4(223) ⇔ H7Si4(161) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -75.09
S298 (cal/mol*K) = -27.31
G298 (kcal/mol) = -66.95
! Template reaction: R_Recombination ! Flux pairs: H6Si4(223), H7Si4(161); H(13), H7Si4(161); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H6Si4(223)=H7Si4(161) 7.206e+12 0.101 -0.195
691. H(13) + H6Si4(224) ⇔ H7Si4(161) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -86.75
S298 (cal/mol*K) = -28.96
G298 (kcal/mol) = -78.12
! Template reaction: R_Recombination ! Flux pairs: H6Si4(224), H7Si4(161); H(13), H7Si4(161); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H6Si4(224)=H7Si4(161) 7.206e+12 0.101 -0.195
692. H(13) + H6Si4(225) ⇔ H7Si4(161) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (H_rad;Si_rad)""")
H298 (kcal/mol) = -75.52
S298 (cal/mol*K) = -21.58
G298 (kcal/mol) = -69.09
! Template reaction: R_Recombination ! Flux pairs: H(13), H7Si4(161); H6Si4(225), H7Si4(161); ! Estimated using template (Y_rad;Y_rad) for rate rule (H_rad;Si_rad) H(13)+H6Si4(225)=H7Si4(161) 7.206e+12 0.101 -0.195
693. H2(3) + H5Si4(226) ⇔ H7Si4(161) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.54
S298 (cal/mol*K) = -65.80
G298 (kcal/mol) = -36.93
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H7Si4(161); H5Si4(226), H7Si4(161); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H5Si4(226)=H7Si4(161) 2.400e+13 0.000 -0.500
694. SiH3(9) + H8Si4(20) ⇔ SiH4(1) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -2.58
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H8Si4(20), H7Si4(161); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 SiH3(9)+H8Si4(20)=SiH4(1)+H7Si4(161) 2.700e+03 3.580 -1.503
695. SiH4(1) + H7Si4(161) ⇔ S(162) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(1.44e+11,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -52.52
S298 (cal/mol*K) = -33.71
G298 (kcal/mol) = -42.48
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), S(162); H7Si4(161), S(162); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 24 SiH4(1)+H7Si4(161)=S(162) 1.440e+11 0.000 -9.100
696. SiH2(2) + H7Si4(161) ⇔ SiH(10) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = -9.05
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), SiH(10); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H7Si4(161)=SiH(10)+H8Si4(20) 7.792e+02 3.620 -0.129
697. SiH2(2) + H7Si4(161) ⇔ H9Si5(192) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +11.1+8.6+7.7+7.3
Arrhenius(A=(1.14e+12,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -57.55
S298 (cal/mol*K) = -36.60
G298 (kcal/mol) = -46.65
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H9Si5(192); H7Si4(161), H9Si5(192); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 12 SiH2(2)+H7Si4(161)=H9Si5(192) 1.140e+12 0.000 -11.600
698. SiH2(2) + H7Si4(161) ⇔ H9Si5(212) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +11.1+8.6+7.7+7.3
Arrhenius(A=(1.14e+12,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -54.82
S298 (cal/mol*K) = -36.26
G298 (kcal/mol) = -44.02
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H9Si5(212); H7Si4(161), H9Si5(212); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 12 SiH2(2)+H7Si4(161)=H9Si5(212) 1.140e+12 0.000 -11.600
699. H(13) + H8Si4(20) ⇔ H2(3) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 5.43
G298 (kcal/mol) = -16.38
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H8Si4(20), H7Si4(161); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H(13)+H8Si4(20)=H2(3)+H7Si4(161) 1.130e+10 1.820 -1.467
700. Si(14) + H7Si4(161) ⇔ H7Si5(193) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+9.3+9.3+9.3
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(0.861184,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12 Ea raised from -1.9 to 0.9 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = 0.00
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H7Si5(193); H7Si4(161), H7Si5(193); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 ! Ea raised from -1.9 to 0.9 kJ/mol to match endothermicity of reaction. Si(14)+H7Si4(161)=H7Si5(193) 2.232e+15 0.000 0.206
701. Si(14) + H7Si4(161) ⇔ H7Si5(177) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -4.27
S298 (cal/mol*K) = -36.77
G298 (kcal/mol) = 6.69
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H7Si5(177); H7Si4(161), H7Si5(177); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 Si(14)+H7Si4(161)=H7Si5(177) 2.232e+15 0.000 -0.454
702. H(13) + H7Si4(161) ⇔ H2(3) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -29.11
S298 (cal/mol*K) = 3.71
G298 (kcal/mol) = -30.22
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H7Si4(161), H6Si4(223); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 H(13)+H7Si4(161)=H2(3)+H6Si4(223) 2.514e+08 2.070 0.403
703. H(13) + H7Si4(161) ⇔ H2(3) + H6Si4(224) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -17.46
S298 (cal/mol*K) = 5.35
G298 (kcal/mol) = -19.05
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H7Si4(161), H6Si4(224); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 H(13)+H7Si4(161)=H2(3)+H6Si4(224) 2.514e+08 2.070 0.403
704. H(13) + H7Si4(161) ⇔ H2(3) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.9+8.3+8.6
Arrhenius(A=(62.8406,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad)""")
H298 (kcal/mol) = -28.68
S298 (cal/mol*K) = -2.02
G298 (kcal/mol) = -28.08
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H7Si4(161), H6Si4(225); ! Estimated using an average for rate rule (Sis_H;H_rad) H(13)+H7Si4(161)=H2(3)+H6Si4(225) 6.284e+07 2.070 0.403
705. H(13) + H7Si4(161) ⇔ H2(3) + H6Si4(228) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.0+8.2+8.5+8.6
Arrhenius(A=(8.49e+08,'cm^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sirad_Si_H2;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -18.11
S298 (cal/mol*K) = 4.78
G298 (kcal/mol) = -19.54
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H7Si4(161), H6Si4(228); ! Exact match found for rate rule (Sirad_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 2 H(13)+H7Si4(161)=H2(3)+H6Si4(228) 8.490e+08 1.690 -1.056
706. H(13) + H7Si4(161) ⇔ H8Si4(20) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (H_rad;Si_rad)""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -29.04
G298 (kcal/mol) = -80.79
! Template reaction: R_Recombination ! Flux pairs: H(13), H8Si4(20); H7Si4(161), H8Si4(20); ! Estimated using template (Y_rad;Y_rad) for rate rule (H_rad;Si_rad) H(13)+H7Si4(161)=H8Si4(20) 7.206e+12 0.101 -0.195
707. H2Si(15) + H8Si4(20) ⇔ SiH3(9) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = -2.25
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H8Si4(20), H7Si4(161); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 H2Si(15)+H8Si4(20)=SiH3(9)+H7Si4(161) 3.349e+08 1.617 6.573
708. SiH3(9) + H7Si4(161) ⇔ SiH4(1) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -17.33
S298 (cal/mol*K) = -3.06
G298 (kcal/mol) = -16.42
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H7Si4(161), H6Si4(223); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(9)+H7Si4(161)=SiH4(1)+H6Si4(223) 7.792e+02 3.620 -0.129
709. SiH3(9) + H7Si4(161) ⇔ SiH4(1) + H6Si4(224) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = -1.42
G298 (kcal/mol) = -5.26
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H7Si4(161), H6Si4(224); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(9)+H7Si4(161)=SiH4(1)+H6Si4(224) 7.792e+02 3.620 -0.129
710. SiH3(9) + H7Si4(161) ⇔ SiH4(1) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl)""")
H298 (kcal/mol) = -16.90
S298 (cal/mol*K) = -8.79
G298 (kcal/mol) = -14.28
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H7Si4(161), H6Si4(225); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) SiH3(9)+H7Si4(161)=SiH4(1)+H6Si4(225) 1.948e+02 3.620 -0.129
711. SiH3(9) + H7Si4(161) ⇔ SiH4(1) + H6Si4(228) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -5.74
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H7Si4(161), H6Si4(228); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 2 SiH3(9)+H7Si4(161)=SiH4(1)+H6Si4(228) 6.305e+09 1.172 4.009
712. SiH3(9) + H7Si4(161) ⇔ H10Si5(62) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -73.70
S298 (cal/mol*K) = -37.70
G298 (kcal/mol) = -62.46
! Template reaction: R_Recombination ! Flux pairs: SiH3(9), H10Si5(62); H7Si4(161), H10Si5(62); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) SiH3(9)+H7Si4(161)=H10Si5(62) 7.206e+12 0.101 -0.195
713. SiH3SiH(5) + H7Si4(161) ⇔ H8Si4(20) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -0.92
G298 (kcal/mol) = -14.08
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H7Si4(161)=H8Si4(20)+H3Si2(16) 1.753e+03 3.620 -0.129
714. SiH3SiH(5) + H7Si4(161) ⇔ S(229) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -57.57
S298 (cal/mol*K) = -41.32
G298 (kcal/mol) = -45.25
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(229); H7Si4(161), S(229); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 SiH3SiH(5)+H7Si4(161)=S(229) 7.200e+10 0.000 -9.100
715. SiH3SiH(5) + H7Si4(161) ⇔ S(230) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -54.84
S298 (cal/mol*K) = -40.98
G298 (kcal/mol) = -42.63
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(230); H7Si4(161), S(230); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 SiH3SiH(5)+H7Si4(161)=S(230) 7.200e+10 0.000 -9.100
716. SiH3SiH(5) + H7Si4(161) ⇔ S(179) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(179); H7Si4(161), S(179); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 SiH3SiH(5)+H7Si4(161)=S(179) 1.080e+11 0.000 -9.100
717. Si2H6(4) + H7Si4(161) ⇔ H5Si2(21) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), H5Si2(21); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H7Si4(161)=H5Si2(21)+H8Si4(20) 3.507e+03 3.620 -0.129
718. Si2H6(4) + H7Si4(161) ⇔ S(213) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -53.38
S298 (cal/mol*K) = -34.53
G298 (kcal/mol) = -43.09
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), S(213); H7Si4(161), S(213); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 Si2H6(4)+H7Si4(161)=S(213) 2.160e+11 0.000 -9.100
719. H4Si2(7) + H7Si4(161) ⇔ H3Si2(23) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H7Si4(161), H8Si4(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H7Si4(161)=H3Si2(23)+H8Si4(20) 1.558e+03 3.620 -0.129
720. H2Si2(24) + H7Si4(161) ⇔ HSi2(25) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H7Si4(161), H8Si4(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H7Si4(161)=HSi2(25)+H8Si4(20) 7.792e+02 3.620 -0.129
721. H2Si2(24) + H7Si4(161) ⇔ H9Si6(231) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.00
S298 (cal/mol*K) = -35.12
G298 (kcal/mol) = -24.53
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H9Si6(231); H7Si4(161), H9Si6(231); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H2Si2(24)+H7Si4(161)=H9Si6(231) 2.232e+15 0.000 -0.454
722. H2Si2(24) + H7Si4(161) ⇔ H9Si6(232) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.55
S298 (cal/mol*K) = -53.09
G298 (kcal/mol) = -19.73
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(24), H9Si6(232); H7Si4(161), H9Si6(232); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H2Si2(24)+H7Si4(161)=H9Si6(232) 2.232e+15 0.000 -0.454
723. SiH2Si(11) + H7Si4(161) ⇔ H8Si4(20) + HSi2(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(11), HSi2(33); H7Si4(161), H8Si4(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2Si(11)+H7Si4(161)=H8Si4(20)+HSi2(33) 7.792e+02 3.620 -0.129
724. H3Si2(23) + H6Si4(223) ⇔ SiH2Si(11) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H6Si4(223), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H3Si2(23)+H6Si4(223)=SiH2Si(11)+H7Si4(161) 3.153e+09 1.172 4.009
725. H3Si2(23) + H6Si4(224) ⇔ SiH2Si(11) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.59
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H6Si4(224), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H3Si2(23)+H6Si4(224)=SiH2Si(11)+H7Si4(161) 3.153e+09 1.172 4.009
726. H3Si2(23) + H6Si4(225) ⇔ SiH2Si(11) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H6Si4(225), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H3Si2(23)+H6Si4(225)=SiH2Si(11)+H7Si4(161) 3.153e+09 1.172 4.009
727. H3Si2(23) + H6Si4(228) ⇔ SiH2Si(11) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H6Si4(228), H7Si4(161); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) H3Si2(23)+H6Si4(228)=SiH2Si(11)+H7Si4(161) 4.806e+10 0.750 -0.445
728. HSi2(25) + H6Si4(223) ⇔ Si2(34) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H6Si4(223), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) HSi2(25)+H6Si4(223)=Si2(34)+H7Si4(161) 3.153e+09 1.172 4.009
729. HSi2(25) + H6Si4(224) ⇔ Si2(34) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.60
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H6Si4(224), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) HSi2(25)+H6Si4(224)=Si2(34)+H7Si4(161) 3.153e+09 1.172 4.009
730. HSi2(25) + H6Si4(225) ⇔ Si2(34) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H6Si4(225), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) HSi2(25)+H6Si4(225)=Si2(34)+H7Si4(161) 3.153e+09 1.172 4.009
731. HSi2(25) + H6Si4(228) ⇔ Si2(34) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H6Si4(228), H7Si4(161); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) HSi2(25)+H6Si4(228)=Si2(34)+H7Si4(161) 4.806e+10 0.750 -0.445
732. Si2(34) + H7Si4(161) ⇔ H7Si6(197) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.00
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = -24.12
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H7Si6(197); H7Si4(161), H7Si6(197); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 Si2(34)+H7Si4(161)=H7Si6(197) 2.232e+15 0.000 -0.454
733. Si2(34) + H7Si4(161) ⇔ H7Si6(235) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.55
S298 (cal/mol*K) = -54.47
G298 (kcal/mol) = -19.32
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(34), H7Si6(235); H7Si4(161), H7Si6(235); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 Si2(34)+H7Si4(161)=H7Si6(235) 2.232e+15 0.000 -0.454
734. H3Si3(38) + H8Si4(20) ⇔ H4Si3(35) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si3(38), H4Si3(35); H8Si4(20), H7Si4(161); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H3Si3(38)+H8Si4(20)=H4Si3(35)+H7Si4(161) 1.753e+03 3.620 -0.129
735. H4Si3(35) + H7Si4(161) ⇔ H3Si3(39) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(35), H3Si3(39); H7Si4(161), H8Si4(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H4Si3(35)+H7Si4(161)=H3Si3(39)+H8Si4(20) 1.948e+02 3.620 -0.129
736. H5Si3(41) + H6Si4(223) ⇔ H4Si3(35) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H6Si4(223), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H5Si3(41)+H6Si4(223)=H4Si3(35)+H7Si4(161) 3.153e+09 1.172 4.009
737. H5Si3(41) + H6Si4(224) ⇔ H4Si3(35) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.60
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H6Si4(224), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H5Si3(41)+H6Si4(224)=H4Si3(35)+H7Si4(161) 3.153e+09 1.172 4.009
738. H5Si3(41) + H6Si4(225) ⇔ H4Si3(35) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H6Si4(225), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H5Si3(41)+H6Si4(225)=H4Si3(35)+H7Si4(161) 3.153e+09 1.172 4.009
739. H5Si3(41) + H6Si4(228) ⇔ H4Si3(35) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H6Si4(228), H7Si4(161); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) H5Si3(41)+H6Si4(228)=H4Si3(35)+H7Si4(161) 4.806e+10 0.750 -0.445
740. H8Si4(20) + H5Si3(46) ⇔ H6Si3(27) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(46), H6Si3(27); H8Si4(20), H7Si4(161); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H8Si4(20)+H5Si3(46)=H6Si3(27)+H7Si4(161) 1.753e+03 3.620 -0.129
741. H6Si3(27) + H7Si4(161) ⇔ H5Si3(41) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H7Si4(161), H8Si4(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H7Si4(161)=H5Si3(41)+H8Si4(20) 7.792e+02 3.620 -0.129
742. H6Si3(27) + H7Si4(161) ⇔ H8Si4(20) + H5Si3(47) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(47); H7Si4(161), H8Si4(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si3(27)+H7Si4(161)=H8Si4(20)+H5Si3(47) 1.948e+02 3.620 -0.129
743. Si2H2(12) + H7Si4(161) ⇔ H8Si4(20) + HSi2(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -12.09
S298 (cal/mol*K) = -5.16
G298 (kcal/mol) = -10.55
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(12), HSi2(52); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H2(12)+H7Si4(161)=H8Si4(20)+HSi2(52) 3.896e+02 3.620 -0.129
744. Si2H2(12) + H7Si4(161) ⇔ H9Si6(236) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(144000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -37.43
S298 (cal/mol*K) = -33.94
G298 (kcal/mol) = -27.32
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H9Si6(236); H7Si4(161), H9Si6(236); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 24 Si2H2(12)+H7Si4(161)=H9Si6(236) 1.440e+11 0.000 -9.100
745. Si2H2(12) + H7Si4(161) ⇔ H9Si6(237) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(144000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -34.70
S298 (cal/mol*K) = -33.60
G298 (kcal/mol) = -24.69
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(12), H9Si6(237); H7Si4(161), H9Si6(237); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 24 Si2H2(12)+H7Si4(161)=H9Si6(237) 1.440e+11 0.000 -9.100
746. H8Si4(20) + H5Si3(56) ⇔ H6Si3(18) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H8Si4(20), H7Si4(161); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H8Si4(20)+H5Si3(56)=H6Si3(18)+H7Si4(161) 1.753e+03 3.620 -0.129
747. H6Si3(18) + H7Si4(161) ⇔ H8Si4(20) + H5Si3(57) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -1.73
G298 (kcal/mol) = -13.84
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(18), H5Si3(57); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(18)+H7Si4(161)=H8Si4(20)+H5Si3(57) 7.792e+02 3.620 -0.129
748. HSi2(25) + H7Si4(161) ⇔ H8Si4(20) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H7Si4(161), H8Si4(20); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) HSi2(25)+H7Si4(161)=H8Si4(20)+Si2(34) 3.153e+09 1.172 4.009
749. HSi2(25) + H7Si4(161) ⇔ H2Si2(24) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -5.76
G298 (kcal/mol) = -5.98
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), H2Si2(24); H7Si4(161), H6Si4(223); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 HSi2(25)+H7Si4(161)=H2Si2(24)+H6Si4(223) 7.792e+02 3.620 -0.129
750. H2Si2(24) + H6Si4(224) ⇔ HSi2(25) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H6Si4(224), H7Si4(161); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H6Si4(224)=HSi2(25)+H7Si4(161) 7.792e+02 3.620 -0.129
751. HSi2(25) + H7Si4(161) ⇔ H2Si2(24) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -11.48
G298 (kcal/mol) = -3.84
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), H2Si2(24); H7Si4(161), H6Si4(225); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) HSi2(25)+H7Si4(161)=H2Si2(24)+H6Si4(225) 1.948e+02 3.620 -0.129
752. H2Si2(24) + H6Si4(228) ⇔ HSi2(25) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 4.68
G298 (kcal/mol) = -4.70
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H6Si4(228), H7Si4(161); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 H2Si2(24)+H6Si4(228)=HSi2(25)+H7Si4(161) 1.488e+08 1.617 6.563
753. HSi2(25) + H7Si4(161) ⇔ H8Si6(238) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -70.41
S298 (cal/mol*K) = -39.51
G298 (kcal/mol) = -58.64
! Template reaction: R_Recombination ! Flux pairs: HSi2(25), H8Si6(238); H7Si4(161), H8Si6(238); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) HSi2(25)+H7Si4(161)=H8Si6(238) 7.206e+12 0.101 -0.195
754. HSi2(25) + H7Si4(161) ⇔ H8Si6(239) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.00
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = -24.12
! Template reaction: Silylene_Insertion ! Flux pairs: HSi2(25), H8Si6(239); H7Si4(161), H8Si6(239); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 HSi2(25)+H7Si4(161)=H8Si6(239) 2.232e+15 0.000 -0.454
755. HSi2(25) + H7Si4(161) ⇔ H8Si6(240) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+9.4+9.4+9.4
Arrhenius(A=(2.232e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -35.55
S298 (cal/mol*K) = -54.47
G298 (kcal/mol) = -19.32
! Template reaction: Silylene_Insertion ! Flux pairs: HSi2(25), H8Si6(240); H7Si4(161), H8Si6(240); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 12 HSi2(25)+H7Si4(161)=H8Si6(240) 2.232e+15 0.000 -0.454
756. H5Si3(41) + H7Si4(161) ⇔ H4Si3(99) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(99); H7Si4(161), H8Si4(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si3(41)+H7Si4(161)=H4Si3(99)+H8Si4(20) 1.948e+02 3.620 -0.129
757. H4Si3(100) + H8Si4(20) ⇔ H5Si3(41) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(100), H5Si3(41); H8Si4(20), H7Si4(161); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H4Si3(100)+H8Si4(20)=H5Si3(41)+H7Si4(161) 1.753e+03 3.620 -0.129
758. H5Si3(41) + H7Si4(161) ⇔ H4Si3(35) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H7Si4(161), H8Si4(20); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si3(41)+H7Si4(161)=H4Si3(35)+H8Si4(20) 3.153e+09 1.172 4.009
759. H5Si3(41) + H7Si4(161) ⇔ H6Si3(27) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -4.38
G298 (kcal/mol) = -6.39
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H7Si4(161), H6Si4(223); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H5Si3(41)+H7Si4(161)=H6Si3(27)+H6Si4(223) 7.792e+02 3.620 -0.129
760. H6Si3(27) + H6Si4(224) ⇔ H5Si3(41) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H6Si4(224), H7Si4(161); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H6Si4(224)=H5Si3(41)+H7Si4(161) 7.792e+02 3.620 -0.129
761. H5Si3(41) + H7Si4(161) ⇔ H6Si3(27) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -10.11
G298 (kcal/mol) = -4.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H7Si4(161), H6Si4(225); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H5Si3(41)+H7Si4(161)=H6Si3(27)+H6Si4(225) 1.948e+02 3.620 -0.129
762. H6Si3(27) + H6Si4(228) ⇔ H5Si3(41) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 3.30
G298 (kcal/mol) = -4.29
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H6Si4(228), H7Si4(161); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H6Si4(228)=H5Si3(41)+H7Si4(161) 1.488e+08 1.617 6.563
763. H3Si2(23) + H7Si4(161) ⇔ H2Si2(98) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H2Si2(98); H7Si4(161), H8Si4(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+H7Si4(161)=H2Si2(98)+H8Si4(20) 7.792e+02 3.620 -0.129
764. H3Si2(23) + H7Si4(161) ⇔ SiH2Si(11) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H7Si4(161), H8Si4(20); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H3Si2(23)+H7Si4(161)=SiH2Si(11)+H8Si4(20) 3.153e+09 1.172 4.009
765. H3Si2(23) + H7Si4(161) ⇔ H4Si2(7) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -5.76
G298 (kcal/mol) = -5.98
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H4Si2(7); H7Si4(161), H6Si4(223); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+H7Si4(161)=H4Si2(7)+H6Si4(223) 7.792e+02 3.620 -0.129
766. H4Si2(7) + H6Si4(224) ⇔ H3Si2(23) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H6Si4(224), H7Si4(161); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H6Si4(224)=H3Si2(23)+H7Si4(161) 1.558e+03 3.620 -0.129
767. H3Si2(23) + H7Si4(161) ⇔ H4Si2(7) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -11.48
G298 (kcal/mol) = -3.84
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H4Si2(7); H7Si4(161), H6Si4(225); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H3Si2(23)+H7Si4(161)=H4Si2(7)+H6Si4(225) 1.948e+02 3.620 -0.129
768. H4Si2(7) + H6Si4(228) ⇔ H3Si2(23) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(297.647,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 4.68
G298 (kcal/mol) = -4.70
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H6Si4(228), H7Si4(161); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H6Si4(228)=H3Si2(23)+H7Si4(161) 2.976e+08 1.617 6.563
769. H6Si4(37) + H7Si4(161) ⇔ H8Si4(20) + H5Si4(113) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(113); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si4(37)+H7Si4(161)=H8Si4(20)+H5Si4(113) 7.792e+02 3.620 -0.129
770. H6Si4(37) + H7Si4(161) ⇔ H8Si4(20) + H5Si4(114) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(114); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si4(37)+H7Si4(161)=H8Si4(20)+H5Si4(114) 1.753e+03 3.620 0.000
771. H6Si4(37) + H7Si4(161) ⇔ H8Si4(20) + H5Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(37), H5Si4(115); H7Si4(161), H8Si4(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si4(37)+H7Si4(161)=H8Si4(20)+H5Si4(115) 1.948e+02 3.620 -0.129
772. H7Si4(91) + H6Si4(223) ⇔ H6Si4(37) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.56
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -0.09
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H6Si4(223), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si4(91)+H6Si4(223)=H6Si4(37)+H7Si4(161) 3.153e+09 1.172 4.009
773. H7Si4(91) + H6Si4(224) ⇔ H6Si4(37) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = -6.59
G298 (kcal/mol) = -11.25
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H6Si4(224), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si4(91)+H6Si4(224)=H6Si4(37)+H7Si4(161) 3.153e+09 1.172 4.009
774. H7Si4(91) + H6Si4(225) ⇔ H6Si4(37) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H6Si4(225), H7Si4(161); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si4(91)+H6Si4(225)=H6Si4(37)+H7Si4(161) 3.153e+09 1.172 4.009
775. H7Si4(91) + H6Si4(228) ⇔ H6Si4(37) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.9+7.0+7.1+7.2
Arrhenius(A=(48062.5,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H)""")
H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -10.77
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H6Si4(228), H7Si4(161); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_H;Si_triplet_Si_H) H7Si4(91)+H6Si4(228)=H6Si4(37)+H7Si4(161) 4.806e+10 0.750 -0.445
776. HSi(138) + H8Si4(20) ⇔ H2Si(15) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.4-2.2-1.5-1.1
Arrhenius(A=(900000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_quartet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -43.23
S298 (cal/mol*K) = 4.92
G298 (kcal/mol) = -44.69
! Template reaction: H_Abstraction ! Flux pairs: HSi(138), H2Si(15); H8Si4(20), H7Si4(161); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_quartet) ! Multiplied by reaction path degeneracy 9 HSi(138)+H8Si4(20)=H2Si(15)+H7Si4(161) 9.000e+05 0.000 10.000
777. H2Si(15) + H7Si4(161) ⇔ SiH3(9) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.1263,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -16.00
S298 (cal/mol*K) = 0.31
G298 (kcal/mol) = -16.09
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H7Si4(161), H6Si4(223); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 H2Si(15)+H7Si4(161)=SiH3(9)+H6Si4(223) 1.488e+08 1.617 6.483
778. H2Si(15) + H7Si4(161) ⇔ SiH3(9) + H6Si4(224) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4311,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -4.35
S298 (cal/mol*K) = 1.96
G298 (kcal/mol) = -4.93
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H7Si4(161), H6Si4(224); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 H2Si(15)+H7Si4(161)=SiH3(9)+H6Si4(224) 1.488e+08 1.617 6.556
779. H2Si(15) + H7Si4(161) ⇔ SiH3(9) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.1+5.0+5.8+6.2
Arrhenius(A=(37.2059,'m^3/(mol*s)'), n=1.61699, Ea=(27.1376,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet)""")
H298 (kcal/mol) = -15.57
S298 (cal/mol*K) = -5.42
G298 (kcal/mol) = -13.96
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H7Si4(161), H6Si4(225); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) H2Si(15)+H7Si4(161)=SiH3(9)+H6Si4(225) 3.721e+07 1.617 6.486
780. H2Si(15) + H7Si4(161) ⇔ SiH3(9) + H6Si4(228) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.3+7.4+7.5
Arrhenius(A=(96124.9,'m^3/(mol*s)'), n=0.75, Ea=(-1.86188,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_Si_H2;Si_triplet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.00
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = -5.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H7Si4(161), H6Si4(228); ! Estimated using template (Xrad_H;Y_1centerbirad) for rate rule (Sirad_Si_H2;Si_triplet) ! Multiplied by reaction path degeneracy 2 H2Si(15)+H7Si4(161)=SiH3(9)+H6Si4(228) 9.612e+10 0.750 -0.445
781. H7Si4(91) + H7Si4(161) ⇔ H6Si4(139) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(139); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+H7Si4(161)=H6Si4(139)+H8Si4(20) 7.792e+02 3.620 -0.129
782. H6Si4(140) + H8Si4(20) ⇔ H7Si4(91) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(140), H7Si4(91); H8Si4(20), H7Si4(161); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H6Si4(140)+H8Si4(20)=H7Si4(91)+H7Si4(161) 1.753e+03 3.620 -0.129
783. H7Si4(91) + H7Si4(161) ⇔ H6Si4(141) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(141); H7Si4(161), H8Si4(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H7Si4(91)+H7Si4(161)=H6Si4(141)+H8Si4(20) 1.948e+02 3.620 -0.129
784. H7Si4(91) + H7Si4(161) ⇔ H6Si4(37) + H8Si4(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -15.91
S298 (cal/mol*K) = -6.67
G298 (kcal/mol) = -13.93
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H7Si4(161), H8Si4(20); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si4(91)+H7Si4(161)=H6Si4(37)+H8Si4(20) 3.153e+09 1.172 4.009
785. H7Si4(91) + H7Si4(161) ⇔ H8Si4(29) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -4.38
G298 (kcal/mol) = -6.39
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(29); H7Si4(161), H6Si4(223); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H7Si4(91)+H7Si4(161)=H8Si4(29)+H6Si4(223) 7.792e+02 3.620 -0.129
786. H8Si4(29) + H6Si4(224) ⇔ H7Si4(91) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(29), H7Si4(91); H6Si4(224), H7Si4(161); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H6Si4(224)=H7Si4(91)+H7Si4(161) 7.792e+02 3.620 -0.129
787. H7Si4(91) + H7Si4(161) ⇔ H8Si4(29) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -10.11
G298 (kcal/mol) = -4.25
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(29); H7Si4(161), H6Si4(225); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H7Si4(91)+H7Si4(161)=H8Si4(29)+H6Si4(225) 1.948e+02 3.620 -0.129
788. H8Si4(29) + H6Si4(228) ⇔ H7Si4(91) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4582,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = 3.30
G298 (kcal/mol) = -4.29
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(29), H7Si4(91); H6Si4(228), H7Si4(161); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_Si_H2;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 H8Si4(29)+H6Si4(228)=H7Si4(91)+H7Si4(161) 1.488e+08 1.617 6.563
789. H8Si4(20) + H4Si2(155) ⇔ H5Si2(21) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(155), H5Si2(21); H8Si4(20), H7Si4(161); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H8Si4(20)+H4Si2(155)=H5Si2(21)+H7Si4(161) 3.507e+03 3.620 0.001
790. H5Si2(21) + H7Si4(161) ⇔ H8Si4(20) + H4Si2(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), H4Si2(157); H7Si4(161), H8Si4(20); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(21)+H7Si4(161)=H8Si4(20)+H4Si2(157) 6.305e+09 1.172 4.009
791. H5Si2(21) + H7Si4(161) ⇔ Si2H6(4) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -3.10
G298 (kcal/mol) = -13.43
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H7Si4(161), H6Si4(223); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(21)+H7Si4(161)=Si2H6(4)+H6Si4(223) 7.792e+02 3.620 -0.129
792. H5Si2(21) + H7Si4(161) ⇔ Si2H6(4) + H6Si4(224) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H7Si4(161), H6Si4(224); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(21)+H7Si4(161)=Si2H6(4)+H6Si4(224) 7.792e+02 3.620 -0.129
793. H5Si2(21) + H7Si4(161) ⇔ Si2H6(4) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -8.83
G298 (kcal/mol) = -11.29
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H7Si4(161), H6Si4(225); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H5Si2(21)+H7Si4(161)=Si2H6(4)+H6Si4(225) 1.948e+02 3.620 -0.129
794. H5Si2(21) + H7Si4(161) ⇔ Si2H6(4) + H6Si4(228) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H7Si4(161), H6Si4(228); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(21)+H7Si4(161)=Si2H6(4)+H6Si4(228) 6.305e+09 1.172 4.009
795. H5Si2(21) + H7Si4(161) ⇔ H12Si6(73) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -71.58
S298 (cal/mol*K) = -38.56
G298 (kcal/mol) = -60.09
! Template reaction: R_Recombination ! Flux pairs: H5Si2(21), H12Si6(73); H7Si4(161), H12Si6(73); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(21)+H7Si4(161)=H12Si6(73) 7.206e+12 0.101 -0.195
796. H5Si2(21) + H7Si4(161) ⇔ S(219) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.0+7.0+6.4+6.0
Arrhenius(A=(108000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -53.38
S298 (cal/mol*K) = -37.28
G298 (kcal/mol) = -42.27
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si2(21), S(219); H7Si4(161), S(219); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 18 H5Si2(21)+H7Si4(161)=S(219) 1.080e+11 0.000 -9.100
797. H5Si3(56) + H7Si4(161) ⇔ H8Si4(20) + H4Si3(166) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -1.73
G298 (kcal/mol) = -13.84
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H4Si3(166); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si3(56)+H7Si4(161)=H8Si4(20)+H4Si3(166) 7.792e+02 3.620 -0.129
798. H5Si3(56) + H7Si4(161) ⇔ H8Si4(20) + H4Si3(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -7.45
G298 (kcal/mol) = -11.70
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H4Si3(167); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H5Si3(56)+H7Si4(161)=H8Si4(20)+H4Si3(167) 1.948e+02 3.620 -0.129
799. H5Si3(56) + H7Si4(161) ⇔ H8Si4(20) + H4Si3(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H4Si3(171); H7Si4(161), H8Si4(20); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si3(56)+H7Si4(161)=H8Si4(20)+H4Si3(171) 6.305e+09 1.172 4.009
800. H5Si3(56) + H7Si4(161) ⇔ H6Si3(18) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -1.73
G298 (kcal/mol) = -13.84
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H7Si4(161), H6Si4(223); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si3(56)+H7Si4(161)=H6Si3(18)+H6Si4(223) 7.792e+02 3.620 -0.129
801. H5Si3(56) + H7Si4(161) ⇔ H6Si3(18) + H6Si4(224) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H7Si4(161), H6Si4(224); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si3(56)+H7Si4(161)=H6Si3(18)+H6Si4(224) 7.792e+02 3.620 -0.129
802. H5Si3(56) + H7Si4(161) ⇔ H6Si3(18) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -7.45
G298 (kcal/mol) = -11.70
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H7Si4(161), H6Si4(225); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H5Si3(56)+H7Si4(161)=H6Si3(18)+H6Si4(225) 1.948e+02 3.620 -0.129
803. H5Si3(56) + H7Si4(161) ⇔ H6Si3(18) + H6Si4(228) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H7Si4(161), H6Si4(228); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si3(56)+H7Si4(161)=H6Si3(18)+H6Si4(228) 6.305e+09 1.172 4.009
804. SiH3SiH(5) + H6Si4(223) ⇔ H3Si2(16) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H6Si4(223), H7Si4(161); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H6Si4(223)=H3Si2(16)+H7Si4(161) 1.753e+03 3.620 -0.129
805. SiH3SiH(5) + H6Si4(224) ⇔ H3Si2(16) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.66
S298 (cal/mol*K) = -0.84
G298 (kcal/mol) = -11.40
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H6Si4(224), H7Si4(161); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H6Si4(224)=H3Si2(16)+H7Si4(161) 1.753e+03 3.620 -0.129
806. SiH3SiH(5) + H6Si4(225) ⇔ H3Si2(16) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.43
S298 (cal/mol*K) = 6.53
G298 (kcal/mol) = -2.38
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H6Si4(225), H7Si4(161); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H6Si4(225)=H3Si2(16)+H7Si4(161) 1.753e+03 3.620 -0.129
807. SiH3SiH(5) + H6Si4(228) ⇔ H3Si2(16) + H7Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.257,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -10.92
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H6Si4(228), H7Si4(161); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H6Si4(228)=H3Si2(16)+H7Si4(161) 3.349e+08 1.617 6.515
808. H3Si2(16) + H7Si4(161) ⇔ S(241) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -43.22
S298 (cal/mol*K) = -40.40
G298 (kcal/mol) = -31.18
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(16), S(241); H7Si4(161), S(241); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H3Si2(16)+H7Si4(161)=S(241) 7.200e+10 0.000 -9.100
809. H3Si2(16) + H7Si4(161) ⇔ S(242) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -40.49
S298 (cal/mol*K) = -40.06
G298 (kcal/mol) = -28.55
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(16), S(242); H7Si4(161), S(242); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 12 H3Si2(16)+H7Si4(161)=S(242) 7.200e+10 0.000 -9.100
810. H7Si4(161) + H7Si3(156) ⇔ Si3H8(6) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -3.10
G298 (kcal/mol) = -13.43
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(156), Si3H8(6); H7Si4(161), H6Si4(223); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(161)+H7Si3(156)=Si3H8(6)+H6Si4(223) 7.792e+02 3.620 -0.129
811. H7Si4(161) + H7Si3(156) ⇔ Si3H8(6) + H6Si4(224) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(156), Si3H8(6); H7Si4(161), H6Si4(224); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(161)+H7Si3(156)=Si3H8(6)+H6Si4(224) 7.792e+02 3.620 -0.129
812. H7Si4(161) + H7Si3(156) ⇔ Si3H8(6) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -8.83
G298 (kcal/mol) = -11.29
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(156), Si3H8(6); H7Si4(161), H6Si4(225); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H7Si4(161)+H7Si3(156)=Si3H8(6)+H6Si4(225) 1.948e+02 3.620 -0.129
813. H7Si4(161) + H7Si3(156) ⇔ Si3H8(6) + H6Si4(228) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(156), Si3H8(6); H7Si4(161), H6Si4(228); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H7Si4(161)+H7Si3(156)=Si3H8(6)+H6Si4(228) 6.305e+09 1.172 4.009
814. H7Si4(161) + H7Si4(161) ⇔ H8Si4(20) + H6Si4(223) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -1.73
G298 (kcal/mol) = -13.84
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(161), H6Si4(223); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(161)+H7Si4(161)=H8Si4(20)+H6Si4(223) 7.792e+02 3.620 -0.129
815. H7Si4(161) + H7Si4(161) ⇔ H8Si4(20) + H6Si4(224) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(161), H6Si4(224); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(161)+H7Si4(161)=H8Si4(20)+H6Si4(224) 7.792e+02 3.620 -0.129
816. H7Si4(161) + H7Si4(161) ⇔ H8Si4(20) + H6Si4(225) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -7.45
G298 (kcal/mol) = -11.70
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(161), H6Si4(225); H7Si4(161), H8Si4(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H7Si4(161)+H7Si4(161)=H8Si4(20)+H6Si4(225) 1.948e+02 3.620 -0.129
817. H7Si4(161) + H7Si4(161) ⇔ H8Si4(20) + H6Si4(228) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(161), H6Si4(228); H7Si4(161), H8Si4(20); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H7Si4(161)+H7Si4(161)=H8Si4(20)+H6Si4(228) 6.305e+09 1.172 4.009
818. H4Si3(100) + SiH(10) ⇔ H5Si4(90) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -61.23
S298 (cal/mol*K) = -14.19
G298 (kcal/mol) = -57.00
! Template reaction: R_Recombination ! Flux pairs: H4Si3(100), H5Si4(90); SiH(10), H5Si4(90); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H4Si3(100)+SiH(10)=H5Si4(90) 7.206e+12 0.101 -0.195
819. SiH4(1) + H5Si4(90) ⇔ H9Si5(103) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+7.1+6.5+6.2
Arrhenius(A=(1.44e+11,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -51.91
S298 (cal/mol*K) = -52.39
G298 (kcal/mol) = -36.30
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H9Si5(103); H5Si4(90), H9Si5(103); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 24 SiH4(1)+H5Si4(90)=H9Si5(103) 1.440e+11 0.000 -9.100
820. Si2H6(4) + H5Si4(90) ⇔ S(105) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+7.3+6.7+6.3
Arrhenius(A=(216000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -52.77
S298 (cal/mol*K) = -53.21
G298 (kcal/mol) = -36.92
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), S(105); H5Si4(90), S(105); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 36 Si2H6(4)+H5Si4(90)=S(105) 2.160e+11 0.000 -9.100
821. H(13) + HSi4(255) ⇔ H2Si4(97) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -75.52
S298 (cal/mol*K) = -22.96
G298 (kcal/mol) = -68.68
! Template reaction: R_Recombination ! Flux pairs: HSi4(255), H2Si4(97); H(13), H2Si4(97); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+HSi4(255)=H2Si4(97) 7.206e+12 0.101 -0.195
823. H2Si4(97) + H2(3) ⇔ H4Si4(110) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+6.6+6.9+7.2
Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -32.60
S298 (cal/mol*K) = -48.30
G298 (kcal/mol) = -18.21
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H4Si4(110); H2Si4(97), H4Si4(110); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 4 H2Si4(97)+H2(3)=H4Si4(110) 4.200e+06 1.970 -0.454
824. H2Si4(97) + H(13) ⇔ H2(3) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+8.0+8.2+8.4
Arrhenius(A=(397.5,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -28.68
S298 (cal/mol*K) = -0.64
G298 (kcal/mol) = -28.49
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H2Si4(97), HSi4(255); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) ! Multiplied by reaction path degeneracy 2 H2Si4(97)+H(13)=H2(3)+HSi4(255) 3.975e+08 1.760 -0.339
825. H2Si4(97) + SiH3(9) ⇔ SiH4(1) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -16.90
S298 (cal/mol*K) = -7.41
G298 (kcal/mol) = -14.69
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H2Si4(97), HSi4(255); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) ! Multiplied by reaction path degeneracy 2 H2Si4(97)+SiH3(9)=SiH4(1)+HSi4(255) 3.896e+02 3.620 -0.129
826. H2Si4(97) + SiH3SiH(5) ⇔ H6Si6(251) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.0+9.9+9.9+9.9
Arrhenius(A=(6.696e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -31.26
S298 (cal/mol*K) = -38.50
G298 (kcal/mol) = -19.79
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H6Si6(251); H2Si4(97), H6Si6(251); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 36 H2Si4(97)+SiH3SiH(5)=H6Si6(251) 6.696e+15 0.000 -0.454
827. H2Si4(97) + Si2H6(4) ⇔ H8Si6(151) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+10.2+10.2+10.2
Arrhenius(A=(1.3392e+16,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 72""")
H298 (kcal/mol) = -30.68
S298 (cal/mol*K) = -53.17
G298 (kcal/mol) = -14.84
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H8Si6(151); H2Si4(97), H8Si6(151); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 72 H2Si4(97)+Si2H6(4)=H8Si6(151) 1.339e+16 0.000 -0.454
828. H3Si2(23) + HSi4(255) ⇔ H2Si4(97) + SiH2Si(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = -0.60
G298 (kcal/mol) = -1.82
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); HSi4(255), H2Si4(97); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H3Si2(23)+HSi4(255)=H2Si4(97)+SiH2Si(11) 3.153e+09 1.172 4.009
829. HSi2(25) + HSi4(255) ⇔ H2Si4(97) + Si2(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = -0.60
G298 (kcal/mol) = -1.82
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); HSi4(255), H2Si4(97); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) HSi2(25)+HSi4(255)=H2Si4(97)+Si2(34) 3.153e+09 1.172 4.009
830. H5Si3(41) + HSi4(255) ⇔ H4Si3(35) + H2Si4(97) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = -0.60
G298 (kcal/mol) = -1.82
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); HSi4(255), H2Si4(97); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H5Si3(41)+HSi4(255)=H4Si3(35)+H2Si4(97) 3.153e+09 1.172 4.009
831. HSi2(25) + H2Si4(97) ⇔ H2Si2(24) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -10.11
G298 (kcal/mol) = -4.25
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), H2Si2(24); H2Si4(97), HSi4(255); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 HSi2(25)+H2Si4(97)=H2Si2(24)+HSi4(255) 3.896e+02 3.620 -0.129
832. H5Si3(41) + H2Si4(97) ⇔ H6Si3(27) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -8.73
G298 (kcal/mol) = -4.66
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H2Si4(97), HSi4(255); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H5Si3(41)+H2Si4(97)=H6Si3(27)+HSi4(255) 3.896e+02 3.620 -0.129
833. H3Si2(23) + H2Si4(97) ⇔ H4Si2(7) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -10.11
G298 (kcal/mol) = -4.25
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H4Si2(7); H2Si4(97), HSi4(255); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(23)+H2Si4(97)=H4Si2(7)+HSi4(255) 3.896e+02 3.620 -0.129
834. H7Si4(91) + HSi4(255) ⇔ H6Si4(37) + H2Si4(97) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = -0.60
G298 (kcal/mol) = -1.82
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); HSi4(255), H2Si4(97); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H7Si4(91)+HSi4(255)=H6Si4(37)+H2Si4(97) 3.153e+09 1.172 4.009
835. H2Si4(97) + H2Si(15) ⇔ SiH3(9) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.4+5.3+6.1+6.5
Arrhenius(A=(74.4117,'m^3/(mol*s)'), n=1.61699, Ea=(27.1376,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -15.57
S298 (cal/mol*K) = -4.04
G298 (kcal/mol) = -14.37
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H2Si4(97), HSi4(255); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet) ! Multiplied by reaction path degeneracy 2 H2Si4(97)+H2Si(15)=SiH3(9)+HSi4(255) 7.441e+07 1.617 6.486
836. H2Si4(97) + H7Si4(91) ⇔ H8Si4(29) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -8.73
G298 (kcal/mol) = -4.66
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(29); H2Si4(97), HSi4(255); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H2Si4(97)+H7Si4(91)=H8Si4(29)+HSi4(255) 3.896e+02 3.620 -0.129
837. H2Si4(97) + H5Si2(21) ⇔ Si2H6(4) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -7.45
G298 (kcal/mol) = -11.70
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H2Si4(97), HSi4(255); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H2Si4(97)+H5Si2(21)=Si2H6(4)+HSi4(255) 3.896e+02 3.620 -0.129
838. H2Si4(97) + H5Si2(21) ⇔ H7Si6(256) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.0+9.9+9.9+9.9
Arrhenius(A=(6.696e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -30.68
S298 (cal/mol*K) = -54.55
G298 (kcal/mol) = -14.43
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si2(21), H7Si6(256); H2Si4(97), H7Si6(256); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 36 H2Si4(97)+H5Si2(21)=H7Si6(256) 6.696e+15 0.000 -0.454
839. H2Si4(97) + H5Si3(56) ⇔ H6Si3(18) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -6.07
G298 (kcal/mol) = -12.11
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H2Si4(97), HSi4(255); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H2Si4(97)+H5Si3(56)=H6Si3(18)+HSi4(255) 3.896e+02 3.620 -0.129
840. SiH3SiH(5) + HSi4(255) ⇔ H2Si4(97) + H3Si2(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.43
S298 (cal/mol*K) = 5.15
G298 (kcal/mol) = -1.97
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); HSi4(255), H2Si4(97); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+HSi4(255)=H2Si4(97)+H3Si2(16) 1.753e+03 3.620 -0.129
841. H2Si4(97) + H7Si3(156) ⇔ Si3H8(6) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -7.45
G298 (kcal/mol) = -11.70
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(156), Si3H8(6); H2Si4(97), HSi4(255); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H2Si4(97)+H7Si3(156)=Si3H8(6)+HSi4(255) 3.896e+02 3.620 -0.129
842. H2Si4(97) + H7Si4(161) ⇔ H8Si4(20) + HSi4(255) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -6.07
G298 (kcal/mol) = -12.11
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(161), H8Si4(20); H2Si4(97), HSi4(255); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H2Si4(97)+H7Si4(161)=H8Si4(20)+HSi4(255) 3.896e+02 3.620 -0.129
843. SiH3(9) + H3Si4(257) ⇔ H6Si5(107) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -68.95
S298 (cal/mol*K) = -42.28
G298 (kcal/mol) = -56.35
! Template reaction: R_Recombination ! Flux pairs: H3Si4(257), H6Si5(107); SiH3(9), H6Si5(107); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) SiH3(9)+H3Si4(257)=H6Si5(107) 7.206e+12 0.101 -0.195
844. H(13) + H5Si5(258) ⇔ H6Si5(107) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H5Si5(258), H6Si5(107); H(13), H6Si5(107); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H5Si5(258)=H6Si5(107) 7.206e+12 0.101 -0.195
845. H(13) + H5Si5(259) ⇔ H6Si5(107) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -72.29
S298 (cal/mol*K) = 14.70
G298 (kcal/mol) = -76.68
! Template reaction: R_Recombination ! Flux pairs: H5Si5(259), H6Si5(107); H(13), H6Si5(107); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H5Si5(259)=H6Si5(107) 7.206e+12 0.101 -0.195
846. H(13) + H5Si5(260) ⇔ H6Si5(107) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -75.52
S298 (cal/mol*K) = -21.59
G298 (kcal/mol) = -69.09
! Template reaction: R_Recombination ! Flux pairs: H5Si5(260), H6Si5(107); H(13), H6Si5(107); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H5Si5(260)=H6Si5(107) 7.206e+12 0.101 -0.195
847. H(13) + H5Si5(261) ⇔ H6Si5(107) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H5Si5(261), H6Si5(107); H(13), H6Si5(107); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(13)+H5Si5(261)=H6Si5(107) 7.206e+12 0.101 -0.195
848. H2(3) + H4Si5(262) ⇔ H6Si5(107) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.37
S298 (cal/mol*K) = -13.39
G298 (kcal/mol) = -25.38
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H6Si5(107); H4Si5(262), H6Si5(107); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H4Si5(262)=H6Si5(107) 7.600e+12 0.000 0.800
849. SiH4(1) + H6Si5(107) ⇔ S(109) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+9.7+9.7+9.7
Arrhenius(A=(4.464e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) Multiplied by reaction path degeneracy 24""")
H298 (kcal/mol) = -30.54
S298 (cal/mol*K) = -54.87
G298 (kcal/mol) = -14.19
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), S(109); H6Si5(107), S(109); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) ! Multiplied by reaction path degeneracy 24 SiH4(1)+H6Si5(107)=S(109) 4.464e+15 0.000 -0.454
850. SiH2(2) + H6Si5(107) ⇔ H8Si6(151) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -52.62
S298 (cal/mol*K) = -34.05
G298 (kcal/mol) = -42.47
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H8Si6(151); H6Si5(107), H8Si6(151); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 18 SiH2(2)+H6Si5(107)=H8Si6(151) 5.580e+14 0.000 -0.454
851. Si(14) + H6Si5(107) ⇔ H6Si6(251) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.3+9.4+9.5+9.5
Arrhenius(A=(3.348e+15,'cm^3/(mol*s)'), n=0, Ea=(1.92575,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 18 Ea raised from -1.9 to 1.9 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.06
S298 (cal/mol*K) = -15.55
G298 (kcal/mol) = 4.69
! Template reaction: Silylene_Insertion ! Flux pairs: Si(14), H6Si6(251); H6Si5(107), H6Si6(251); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -1.9 to 1.9 kJ/mol to match endothermicity of reaction. Si(14)+H6Si5(107)=H6Si6(251) 3.348e+15 0.000 0.460
852. H(13) + H6Si5(107) ⇔ H2(3) + H5Si5(258) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.7+7.9+8.1
Arrhenius(A=(198.75,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad)""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H6Si5(107), H5Si5(258); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) H(13)+H6Si5(107)=H2(3)+H5Si5(258) 1.988e+08 1.760 -0.339
853. H(13) + H6Si5(107) ⇔ H2(3) + H5Si5(259) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -31.91
S298 (cal/mol*K) = -38.31
G298 (kcal/mol) = -20.50
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H6Si5(107), H5Si5(259); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H(13)+H6Si5(107)=H2(3)+H5Si5(259) 1.130e+10 1.820 -1.467
854. H(13) + H6Si5(107) ⇔ H2(3) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.7+7.9+8.1
Arrhenius(A=(198.75,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad)""")
H298 (kcal/mol) = -28.68
S298 (cal/mol*K) = -2.02
G298 (kcal/mol) = -28.08
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H6Si5(107), H5Si5(260); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) H(13)+H6Si5(107)=H2(3)+H5Si5(260) 1.988e+08 1.760 -0.339
855. H(13) + H6Si5(107) ⇔ H2(3) + H5Si5(261) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.7+7.9+8.1
Arrhenius(A=(198.75,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad)""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(13), H2(3); H6Si5(107), H5Si5(261); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) H(13)+H6Si5(107)=H2(3)+H5Si5(261) 1.988e+08 1.760 -0.339
856. SiH3(9) + H6Si5(107) ⇔ SiH4(1) + H5Si5(258) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H6Si5(107), H5Si5(258); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) SiH3(9)+H6Si5(107)=SiH4(1)+H5Si5(258) 1.948e+02 3.620 -0.129
857. SiH3(9) + H6Si5(107) ⇔ SiH4(1) + H5Si5(259) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -20.13
S298 (cal/mol*K) = -45.08
G298 (kcal/mol) = -6.70
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H6Si5(107), H5Si5(259); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 SiH3(9)+H6Si5(107)=SiH4(1)+H5Si5(259) 2.700e+03 3.580 -1.503
858. SiH3(9) + H6Si5(107) ⇔ SiH4(1) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -16.90
S298 (cal/mol*K) = -8.79
G298 (kcal/mol) = -14.28
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H6Si5(107), H5Si5(260); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) SiH3(9)+H6Si5(107)=SiH4(1)+H5Si5(260) 1.948e+02 3.620 -0.129
859. SiH3(9) + H6Si5(107) ⇔ SiH4(1) + H5Si5(261) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: SiH3(9), SiH4(1); H6Si5(107), H5Si5(261); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) SiH3(9)+H6Si5(107)=SiH4(1)+H5Si5(261) 1.948e+02 3.620 -0.129
860. H3Si2(23) + H5Si5(258) ⇔ SiH2Si(11) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H5Si5(258), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H3Si2(23)+H5Si5(258)=SiH2Si(11)+H6Si5(107) 3.153e+09 1.172 4.009
861. H3Si2(23) + H5Si5(259) ⇔ SiH2Si(11) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = 1.24
S298 (cal/mol*K) = 37.07
G298 (kcal/mol) = -9.81
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H5Si5(259), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H3Si2(23)+H5Si5(259)=SiH2Si(11)+H6Si5(107) 3.153e+09 1.172 4.009
862. H3Si2(23) + H5Si5(260) ⇔ SiH2Si(11) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H5Si5(260), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H3Si2(23)+H5Si5(260)=SiH2Si(11)+H6Si5(107) 3.153e+09 1.172 4.009
863. H3Si2(23) + H5Si5(261) ⇔ SiH2Si(11) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH2Si(11); H5Si5(261), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H3Si2(23)+H5Si5(261)=SiH2Si(11)+H6Si5(107) 3.153e+09 1.172 4.009
864. HSi2(25) + H5Si5(258) ⇔ Si2(34) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H5Si5(258), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) HSi2(25)+H5Si5(258)=Si2(34)+H6Si5(107) 3.153e+09 1.172 4.009
865. HSi2(25) + H5Si5(259) ⇔ Si2(34) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = 1.24
S298 (cal/mol*K) = 37.06
G298 (kcal/mol) = -9.81
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H5Si5(259), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) HSi2(25)+H5Si5(259)=Si2(34)+H6Si5(107) 3.153e+09 1.172 4.009
866. HSi2(25) + H5Si5(260) ⇔ Si2(34) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H5Si5(260), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) HSi2(25)+H5Si5(260)=Si2(34)+H6Si5(107) 3.153e+09 1.172 4.009
867. HSi2(25) + H5Si5(261) ⇔ Si2(34) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), Si2(34); H5Si5(261), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) HSi2(25)+H5Si5(261)=Si2(34)+H6Si5(107) 3.153e+09 1.172 4.009
868. H5Si3(41) + H5Si5(258) ⇔ H4Si3(35) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H5Si5(258), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H5Si3(41)+H5Si5(258)=H4Si3(35)+H6Si5(107) 3.153e+09 1.172 4.009
869. H5Si3(41) + H5Si5(259) ⇔ H4Si3(35) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = 1.24
S298 (cal/mol*K) = 37.06
G298 (kcal/mol) = -9.81
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H5Si5(259), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si3(41)+H5Si5(259)=H4Si3(35)+H6Si5(107) 3.153e+09 1.172 4.009
870. H5Si3(41) + H5Si5(260) ⇔ H4Si3(35) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H5Si5(260), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H5Si3(41)+H5Si5(260)=H4Si3(35)+H6Si5(107) 3.153e+09 1.172 4.009
871. H5Si3(41) + H5Si5(261) ⇔ H4Si3(35) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H4Si3(35); H5Si5(261), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H5Si3(41)+H5Si5(261)=H4Si3(35)+H6Si5(107) 3.153e+09 1.172 4.009
872. H2Si2(24) + H5Si5(258) ⇔ HSi2(25) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(1.74623e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H5Si5(258), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si2(24)+H5Si5(258)=HSi2(25)+H6Si5(107) 7.792e+02 3.620 0.000
873. H2Si2(24) + H5Si5(259) ⇔ HSi2(25) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +2.4+5.6+7.0+7.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(41.2159,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 41.2 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 10.49
S298 (cal/mol*K) = 47.77
G298 (kcal/mol) = -3.74
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H5Si5(259), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 41.2 kJ/mol to match endothermicity of reaction. H2Si2(24)+H5Si5(259)=HSi2(25)+H6Si5(107) 7.792e+02 3.620 9.851
874. HSi2(25) + H6Si5(107) ⇔ H2Si2(24) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -11.48
G298 (kcal/mol) = -3.84
! Template reaction: H_Abstraction ! Flux pairs: HSi2(25), H2Si2(24); H6Si5(107), H5Si5(260); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) HSi2(25)+H6Si5(107)=H2Si2(24)+H5Si5(260) 1.948e+02 3.620 -0.129
875. H2Si2(24) + H5Si5(261) ⇔ HSi2(25) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(1.74623e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(24), HSi2(25); H5Si5(261), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si2(24)+H5Si5(261)=HSi2(25)+H6Si5(107) 7.792e+02 3.620 0.000
876. H5Si3(41) + H6Si5(107) ⇔ H6Si3(27) + H5Si5(258) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(5.47152e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H6Si5(107), H5Si5(258); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(41)+H6Si5(107)=H6Si3(27)+H5Si5(258) 1.948e+02 3.620 0.000
877. H6Si3(27) + H5Si5(259) ⇔ H5Si3(41) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +2.4+5.6+7.0+7.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(41.2159,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 41.2 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 10.49
S298 (cal/mol*K) = 46.39
G298 (kcal/mol) = -3.33
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(41); H5Si5(259), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 41.2 kJ/mol to match endothermicity of reaction. H6Si3(27)+H5Si5(259)=H5Si3(41)+H6Si5(107) 7.792e+02 3.620 9.851
878. H5Si3(41) + H6Si5(107) ⇔ H6Si3(27) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -10.11
G298 (kcal/mol) = -4.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H6Si5(107), H5Si5(260); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H5Si3(41)+H6Si5(107)=H6Si3(27)+H5Si5(260) 1.948e+02 3.620 -0.129
879. H5Si3(41) + H6Si5(107) ⇔ H6Si3(27) + H5Si5(261) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(5.47152e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(41), H6Si3(27); H6Si5(107), H5Si5(261); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(41)+H6Si5(107)=H6Si3(27)+H5Si5(261) 1.948e+02 3.620 0.000
880. H4Si2(7) + H5Si5(258) ⇔ H3Si2(23) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H5Si5(258), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H5Si5(258)=H3Si2(23)+H6Si5(107) 1.558e+03 3.620 -0.129
881. H4Si2(7) + H5Si5(259) ⇔ H3Si2(23) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +2.7+5.9+7.3+8.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(41.2159,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 41.2 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 10.49
S298 (cal/mol*K) = 47.77
G298 (kcal/mol) = -3.74
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H5Si5(259), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 41.2 kJ/mol to match endothermicity of reaction. H4Si2(7)+H5Si5(259)=H3Si2(23)+H6Si5(107) 1.558e+03 3.620 9.851
882. H3Si2(23) + H6Si5(107) ⇔ H4Si2(7) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -11.48
G298 (kcal/mol) = -3.84
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), H4Si2(7); H6Si5(107), H5Si5(260); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H3Si2(23)+H6Si5(107)=H4Si2(7)+H5Si5(260) 1.948e+02 3.620 -0.129
883. H4Si2(7) + H5Si5(261) ⇔ H3Si2(23) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(23); H5Si5(261), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H5Si5(261)=H3Si2(23)+H6Si5(107) 1.558e+03 3.620 -0.129
884. H7Si4(91) + H5Si5(258) ⇔ H6Si4(37) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H5Si5(258), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H7Si4(91)+H5Si5(258)=H6Si4(37)+H6Si5(107) 3.153e+09 1.172 4.009
885. H7Si4(91) + H5Si5(259) ⇔ H6Si4(37) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = 1.24
S298 (cal/mol*K) = 37.06
G298 (kcal/mol) = -9.81
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H5Si5(259), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si4(91)+H5Si5(259)=H6Si4(37)+H6Si5(107) 3.153e+09 1.172 4.009
886. H7Si4(91) + H5Si5(260) ⇔ H6Si4(37) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -1.99
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H5Si5(260), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H7Si4(91)+H5Si5(260)=H6Si4(37)+H6Si5(107) 3.153e+09 1.172 4.009
887. H7Si4(91) + H5Si5(261) ⇔ H6Si4(37) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad)""")
H298 (kcal/mol) = -9.25
S298 (cal/mol*K) = -9.33
G298 (kcal/mol) = -6.48
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H6Si4(37); H5Si5(261), H6Si5(107); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sid_rad) H7Si4(91)+H5Si5(261)=H6Si4(37)+H6Si5(107) 3.153e+09 1.172 4.009
888. H2Si(15) + H6Si5(107) ⇔ SiH3(9) + H5Si5(258) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.1+5.0+5.8+6.2
Arrhenius(A=(37.2059,'m^3/(mol*s)'), n=1.61699, Ea=(27.3275,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet)""")
H298 (kcal/mol) = -8.31
S298 (cal/mol*K) = 4.69
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H6Si5(107), H5Si5(258); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet) H2Si(15)+H6Si5(107)=SiH3(9)+H5Si5(258) 3.721e+07 1.617 6.531
889. H2Si(15) + H6Si5(107) ⇔ SiH3(9) + H5Si5(259) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.1+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.0531,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -18.80
S298 (cal/mol*K) = -41.70
G298 (kcal/mol) = -6.37
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H6Si5(107), H5Si5(259); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 H2Si(15)+H6Si5(107)=SiH3(9)+H5Si5(259) 3.349e+08 1.617 6.466
890. H2Si(15) + H6Si5(107) ⇔ SiH3(9) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.1+5.0+5.8+6.2
Arrhenius(A=(37.2059,'m^3/(mol*s)'), n=1.61699, Ea=(27.1376,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet)""")
H298 (kcal/mol) = -15.57
S298 (cal/mol*K) = -5.41
G298 (kcal/mol) = -13.96
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H6Si5(107), H5Si5(260); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet) H2Si(15)+H6Si5(107)=SiH3(9)+H5Si5(260) 3.721e+07 1.617 6.486
891. H2Si(15) + H6Si5(107) ⇔ SiH3(9) + H5Si5(261) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.1+5.0+5.8+6.2
Arrhenius(A=(37.2059,'m^3/(mol*s)'), n=1.61699, Ea=(27.3275,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet)""")
H298 (kcal/mol) = -8.31
S298 (cal/mol*K) = 4.69
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: H2Si(15), SiH3(9); H6Si5(107), H5Si5(261); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sid_H;Si_triplet) H2Si(15)+H6Si5(107)=SiH3(9)+H5Si5(261) 3.721e+07 1.617 6.531
892. H7Si4(91) + H6Si5(107) ⇔ H8Si4(29) + H5Si5(258) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(29); H6Si5(107), H5Si5(258); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H7Si4(91)+H6Si5(107)=H8Si4(29)+H5Si5(258) 1.948e+02 3.620 -0.129
893. H8Si4(29) + H5Si5(259) ⇔ H7Si4(91) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +2.4+5.6+7.0+7.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(41.2159,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 41.2 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 10.49
S298 (cal/mol*K) = 46.39
G298 (kcal/mol) = -3.33
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(29), H7Si4(91); H5Si5(259), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 41.2 kJ/mol to match endothermicity of reaction. H8Si4(29)+H5Si5(259)=H7Si4(91)+H6Si5(107) 7.792e+02 3.620 9.851
894. H7Si4(91) + H6Si5(107) ⇔ H8Si4(29) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -7.26
S298 (cal/mol*K) = -10.11
G298 (kcal/mol) = -4.25
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(29); H6Si5(107), H5Si5(260); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H7Si4(91)+H6Si5(107)=H8Si4(29)+H5Si5(260) 1.948e+02 3.620 -0.129
895. H7Si4(91) + H6Si5(107) ⇔ H8Si4(29) + H5Si5(261) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(29); H6Si5(107), H5Si5(261); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) H7Si4(91)+H6Si5(107)=H8Si4(29)+H5Si5(261) 1.948e+02 3.620 -0.129
896. H5Si2(21) + H6Si5(107) ⇔ Si2H6(4) + H5Si5(258) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H6Si5(107), H5Si5(258); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si2(21)+H6Si5(107)=Si2H6(4)+H5Si5(258) 1.948e+02 3.620 -0.129
897. H5Si2(21) + H6Si5(107) ⇔ Si2H6(4) + H5Si5(259) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -17.15
S298 (cal/mol*K) = -45.12
G298 (kcal/mol) = -3.71
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H6Si5(107), H5Si5(259); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H5Si2(21)+H6Si5(107)=Si2H6(4)+H5Si5(259) 1.753e+03 3.620 -0.129
898. H5Si2(21) + H6Si5(107) ⇔ Si2H6(4) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -8.83
G298 (kcal/mol) = -11.29
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H6Si5(107), H5Si5(260); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si2(21)+H6Si5(107)=Si2H6(4)+H5Si5(260) 1.948e+02 3.620 -0.129
899. H5Si2(21) + H6Si5(107) ⇔ Si2H6(4) + H5Si5(261) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(21), Si2H6(4); H6Si5(107), H5Si5(261); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si2(21)+H6Si5(107)=Si2H6(4)+H5Si5(261) 1.948e+02 3.620 -0.129
900. H5Si3(56) + H6Si5(107) ⇔ H6Si3(18) + H5Si5(258) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H6Si5(107), H5Si5(258); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si3(56)+H6Si5(107)=H6Si3(18)+H5Si5(258) 1.948e+02 3.620 -0.129
901. H5Si3(56) + H6Si5(107) ⇔ H6Si3(18) + H5Si5(259) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -17.15
S298 (cal/mol*K) = -43.74
G298 (kcal/mol) = -4.12
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H6Si5(107), H5Si5(259); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H5Si3(56)+H6Si5(107)=H6Si3(18)+H5Si5(259) 1.753e+03 3.620 -0.129
902. H5Si3(56) + H6Si5(107) ⇔ H6Si3(18) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -7.45
G298 (kcal/mol) = -11.70
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H6Si5(107), H5Si5(260); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si3(56)+H6Si5(107)=H6Si3(18)+H5Si5(260) 1.948e+02 3.620 -0.129
903. H5Si3(56) + H6Si5(107) ⇔ H6Si3(18) + H5Si5(261) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(56), H6Si3(18); H6Si5(107), H5Si5(261); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si3(56)+H6Si5(107)=H6Si3(18)+H5Si5(261) 1.948e+02 3.620 -0.129
904. SiH3SiH(5) + H5Si5(258) ⇔ H3Si2(16) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H5Si5(258), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si5(258)=H3Si2(16)+H6Si5(107) 1.753e+03 3.620 -0.129
905. SiH3SiH(5) + H5Si5(259) ⇔ H3Si2(16) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.6+8.4+9.0
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(9.19003,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 9.2 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 2.80
S298 (cal/mol*K) = 42.82
G298 (kcal/mol) = -9.96
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H5Si5(259), H6Si5(107); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 9.2 kJ/mol to match endothermicity of reaction. SiH3SiH(5)+H5Si5(259)=H3Si2(16)+H6Si5(107) 1.753e+03 3.620 2.196
906. SiH3SiH(5) + H5Si5(260) ⇔ H3Si2(16) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.43
S298 (cal/mol*K) = 6.53
G298 (kcal/mol) = -2.38
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H5Si5(260), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si5(260)=H3Si2(16)+H6Si5(107) 1.753e+03 3.620 -0.129
907. SiH3SiH(5) + H5Si5(261) ⇔ H3Si2(16) + H6Si5(107) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(16); H5Si5(261), H6Si5(107); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si5(261)=H3Si2(16)+H6Si5(107) 1.753e+03 3.620 -0.129
908. H6Si5(107) + H7Si3(156) ⇔ Si3H8(6) + H5Si5(258) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(156), Si3H8(6); H6Si5(107), H5Si5(258); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si5(107)+H7Si3(156)=Si3H8(6)+H5Si5(258) 1.948e+02 3.620 -0.129
909. H6Si5(107) + H7Si3(156) ⇔ Si3H8(6) + H5Si5(259) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -17.15
S298 (cal/mol*K) = -45.12
G298 (kcal/mol) = -3.71
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(156), Si3H8(6); H6Si5(107), H5Si5(259); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H6Si5(107)+H7Si3(156)=Si3H8(6)+H5Si5(259) 1.753e+03 3.620 -0.129
910. H6Si5(107) + H7Si3(156) ⇔ Si3H8(6) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -8.83
G298 (kcal/mol) = -11.29
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(156), Si3H8(6); H6Si5(107), H5Si5(260); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si5(107)+H7Si3(156)=Si3H8(6)+H5Si5(260) 1.948e+02 3.620 -0.129
911. H6Si5(107) + H7Si3(156) ⇔ Si3H8(6) + H5Si5(261) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(156), Si3H8(6); H6Si5(107), H5Si5(261); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si5(107)+H7Si3(156)=Si3H8(6)+H5Si5(261) 1.948e+02 3.620 -0.129
912. H6Si5(107) + H7Si4(161) ⇔ H8Si4(20) + H5Si5(258) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(161), H8Si4(20); H6Si5(107), H5Si5(258); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si5(107)+H7Si4(161)=H8Si4(20)+H5Si5(258) 1.948e+02 3.620 -0.129
913. H6Si5(107) + H7Si4(161) ⇔ H8Si4(20) + H5Si5(259) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -17.15
S298 (cal/mol*K) = -43.74
G298 (kcal/mol) = -4.12
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(161), H8Si4(20); H6Si5(107), H5Si5(259); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H6Si5(107)+H7Si4(161)=H8Si4(20)+H5Si5(259) 1.753e+03 3.620 -0.129
914. H6Si5(107) + H7Si4(161) ⇔ H8Si4(20) + H5Si5(260) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -13.92
S298 (cal/mol*K) = -7.45
G298 (kcal/mol) = -11.70
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(161), H8Si4(20); H6Si5(107), H5Si5(260); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si5(107)+H7Si4(161)=H8Si4(20)+H5Si5(260) 1.948e+02 3.620 -0.129
915. H6Si5(107) + H7Si4(161) ⇔ H8Si4(20) + H5Si5(261) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(161), H8Si4(20); H6Si5(107), H5Si5(261); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si5(107)+H7Si4(161)=H8Si4(20)+H5Si5(261) 1.948e+02 3.620 -0.129